4-chloro-6-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)pyrimidin-2-amine

C19H23ClFN5 — CID 167225907

IUPAC4-chloro-6-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)pyrimidin-2-amine
SMILESF[C@@H]1CCN(c2cc(Cl)nc(Nc3ccc(N4CCCCC4)cc3)n2)C1
InChIInChI=1S/C19H23ClFN5/c20-17-12-18(26-11-8-14(21)13-26)24-19(23-17)22-15-4-6-16(7-5-15)25-9-2-1-3-10-25/h4-7,12,14H,1-3,8-11,13H2,(H,22,23,24)/t14-/m1/s1
InChIKeySAJYAXJCVZULTB-CQSZACIVSA-N
MW375.88 g/mol
LogP4.41
Rot. Bonds4

About 4-chloro-6-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)pyrimidin-2-amine

4-chloro-6-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)pyrimidin-2-amine (PubChem CID 167225907) has the molecular formula C19H23ClFN5 and a molecular weight of 375.88 g/mol. Its IUPAC name is 4-chloro-6-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)pyrimidin-2-amine
PubChem CID167225907
Molecular FormulaC19H23ClFN5
Molecular Weight375.88 g/mol
Exact Mass375.16
IUPAC Name4-chloro-6-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)pyrimidin-2-amine
SMILESF[C@@H]1CCN(c2cc(Cl)nc(Nc3ccc(N4CCCCC4)cc3)n2)C1
InChIInChI=1S/C19H23ClFN5/c20-17-12-18(26-11-8-14(21)13-26)24-19(23-17)22-15-4-6-16(7-5-15)25-9-2-1-3-10-25/h4-7,12,14H,1-3,8-11,13H2,(H,22,23,24)/t14-/m1/s1
InChIKeySAJYAXJCVZULTB-CQSZACIVSA-N
XLogP4.41
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 88570930
4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 121200880
6-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 62923074
4-chloro-N-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 123974719
6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 121468961
4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
CID 169246456
4-chloro-N-cyclopentyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 19428512
1-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)-3-[(4-pyrrolidin-1-ylphenyl)methyl]thiourea
CID 100784506
4-(azepan-1-yl)-N-(3,4-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 112926654
(3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone
CID 109334084
(3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine
CID 166093392
4-N-(2-chlorophenyl)-6-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112929623

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)pyrimidin-2-amine (CID 167225907) is 4-chloro-6-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)pyrimidin-2-amine is F[C@@H]1CCN(c2cc(Cl)nc(Nc3ccc(N4CCCCC4)cc3)n2)C1.
What is the InChIKey of 4-chloro-6-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)pyrimidin-2-amine?
The InChIKey is SAJYAXJCVZULTB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23ClFN5/c20-17-12-18(26-11-8-14(21)13-26)24-19(23-17)22-15-4-6-16(7-5-15)25-9-2-1-3-10-25/h4-7,12,14H,1-3,8-11,13H2,(H,22,23,24)/t14-/m1/s1.
What are the key properties of 4-chloro-6-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)pyrimidin-2-amine?
4-chloro-6-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)pyrimidin-2-amine has a molecular weight of 375.88 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 167225907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).