N-methyl-6-[(2R)-2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine

C19H24N8 — CID 124554026

IUPACN-methyl-6-[(2R)-2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCC[C@@H]2CNCc2cn[nH]c2-c2cccnc2)ncn1
InChIInChI=1S/C19H24N8/c1-20-17-8-18(24-13-23-17)27-7-3-5-16(27)12-22-10-15-11-25-26-19(15)14-4-2-6-21-9-14/h2,4,6,8-9,11,13,16,22H,3,5,7,10,12H2,1H3,(H,25,26)(H,20,23,24)/t16-/m1/s1
InChIKeyKXPQSJNBDVMQDZ-MRXNPFEDSA-N
MW364.46 g/mol
LogP2.06
Rot. Bonds7

About N-methyl-6-[(2R)-2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine

N-methyl-6-[(2R)-2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 124554026) has the molecular formula C19H24N8 and a molecular weight of 364.46 g/mol. Its IUPAC name is N-methyl-6-[(2R)-2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[(2R)-2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID124554026
Molecular FormulaC19H24N8
Molecular Weight364.46 g/mol
Exact Mass364.21
IUPAC NameN-methyl-6-[(2R)-2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCC[C@@H]2CNCc2cn[nH]c2-c2cccnc2)ncn1
InChIInChI=1S/C19H24N8/c1-20-17-8-18(24-13-23-17)27-7-3-5-16(27)12-22-10-15-11-25-26-19(15)14-4-2-6-21-9-14/h2,4,6,8-9,11,13,16,22H,3,5,7,10,12H2,1H3,(H,25,26)(H,20,23,24)/t16-/m1/s1
InChIKeyKXPQSJNBDVMQDZ-MRXNPFEDSA-N
XLogP2.06
TPSA94.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(2R)-2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[(2R)-2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine (CID 124554026) is N-methyl-6-[(2R)-2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[(2R)-2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[(2R)-2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine is CNc1cc(N2CCC[C@@H]2CNCc2cn[nH]c2-c2cccnc2)ncn1.
What is the InChIKey of N-methyl-6-[(2R)-2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is KXPQSJNBDVMQDZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N8/c1-20-17-8-18(24-13-23-17)27-7-3-5-16(27)12-22-10-15-11-25-26-19(15)14-4-2-6-21-9-14/h2,4,6,8-9,11,13,16,22H,3,5,7,10,12H2,1H3,(H,25,26)(H,20,23,24)/t16-/m1/s1.
What are the key properties of N-methyl-6-[(2R)-2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
N-methyl-6-[(2R)-2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 364.46 g/mol, XLogP of 2.06, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(2R)-2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 124554026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).