6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;[2-[1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]phenyl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine

C82H90ClFN24O — CID 159248459

IUPAC6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;[2-[1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]phenyl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCc1ccccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.Clc1ccccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.Fc1ccccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.OCc1ccccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1
InChIInChI=1S/C21H24N6O.C21H24N6.C20H21ClN6.C20H21FN6/c28-12-15-4-1-2-5-16(15)18-6-3-9-27(18)21-11-19(22-13-23-21)24-20-10-17(25-26-20)14-7-8-14;1-14-5-2-3-6-16(14)18-7-4-10-27(18)21-12-19(22-13-23-21)24-20-11-17(25-26-20)15-8-9-15;2*21-15-5-2-1-4-14(15)17-6-3-9-27(17)20-11-18(22-12-23-20)24-19-10-16(25-26-19)13-7-8-13/h1-2,4-5,10-11,13-14,18,28H,3,6-9,12H2,(H2,22,23,24,25,26);2-3,5-6,11-13,15,18H,4,7-10H2,1H3,(H2,22,23,24,25,26);2*1-2,4-5,10-13,17H,3,6-9H2,(H2,22,23,24,25,26)
InChIKeyKUZCASQWGYZBMX-UHFFFAOYSA-N
MW1482.24 g/mol
LogP17.24
Rot. Bonds21

About 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;[2-[1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]phenyl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine

6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;[2-[1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]phenyl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 159248459) has the molecular formula C82H90ClFN24O and a molecular weight of 1482.24 g/mol. Its IUPAC name is 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;[2-[1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]phenyl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;[2-[1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]phenyl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID159248459
Molecular FormulaC82H90ClFN24O
Molecular Weight1482.24 g/mol
Exact Mass1480.74
IUPAC Name6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;[2-[1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]phenyl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCc1ccccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.Clc1ccccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.Fc1ccccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.OCc1ccccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1
InChIInChI=1S/C21H24N6O.C21H24N6.C20H21ClN6.C20H21FN6/c28-12-15-4-1-2-5-16(15)18-6-3-9-27(18)21-11-19(22-13-23-21)24-20-10-17(25-26-20)14-7-8-14;1-14-5-2-3-6-16(14)18-7-4-10-27(18)21-12-19(22-13-23-21)24-20-11-17(25-26-20)15-8-9-15;2*21-15-5-2-1-4-14(15)17-6-3-9-27(17)20-11-18(22-12-23-20)24-19-10-16(25-26-19)13-7-8-13/h1-2,4-5,10-11,13-14,18,28H,3,6-9,12H2,(H2,22,23,24,25,26);2-3,5-6,11-13,15,18H,4,7-10H2,1H3,(H2,22,23,24,25,26);2*1-2,4-5,10-13,17H,3,6-9H2,(H2,22,23,24,25,26)
InChIKeyKUZCASQWGYZBMX-UHFFFAOYSA-N
XLogP17.24
TPSA299.15 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms109
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001482.24
LogP ≤ 517.24
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;[2-[1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]phenyl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;[2-[1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]phenyl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;[2-[1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]phenyl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine (CID 159248459) is 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;[2-[1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]phenyl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;[2-[1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]phenyl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;[2-[1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]phenyl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine is Cc1ccccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.Clc1ccccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.Fc1ccccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.OCc1ccccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.
What is the InChIKey of 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;[2-[1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]phenyl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is KUZCASQWGYZBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O.C21H24N6.C20H21ClN6.C20H21FN6/c28-12-15-4-1-2-5-16(15)18-6-3-9-27(18)21-11-19(22-13-23-21)24-20-10-17(25-26-20)14-7-8-14;1-14-5-2-3-6-16(14)18-7-4-10-27(18)21-12-19(22-13-23-21)24-20-11-17(25-26-20)15-8-9-15;2*21-15-5-2-1-4-14(15)17-6-3-9-27(17)20-11-18(22-12-23-20)24-19-10-16(25-26-19)13-7-8-13/h1-2,4-5,10-11,13-14,18,28H,3,6-9,12H2,(H2,22,23,24,25,26);2-3,5-6,11-13,15,18H,4,7-10H2,1H3,(H2,22,23,24,25,26);2*1-2,4-5,10-13,17H,3,6-9H2,(H2,22,23,24,25,26).
What are the key properties of 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;[2-[1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]phenyl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine?
6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;[2-[1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]phenyl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 1482.24 g/mol, XLogP of 17.24, 21 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;[2-[1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]phenyl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 159248459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).