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

C19H23N7 — CID 110256090

IUPAC2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
SMILESCc1nc(Nc2cc(C)[nH]n2)cc(C2CCCN2Cc2cccnc2)n1
InChIInChI=1S/C19H23N7/c1-13-9-19(25-24-13)23-18-10-16(21-14(2)22-18)17-6-4-8-26(17)12-15-5-3-7-20-11-15/h3,5,7,9-11,17H,4,6,8,12H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyOPBHTVXFXCBITK-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.29
Rot. Bonds5

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

2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine (PubChem CID 110256090) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
PubChem CID110256090
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
SMILESCc1nc(Nc2cc(C)[nH]n2)cc(C2CCCN2Cc2cccnc2)n1
InChIInChI=1S/C19H23N7/c1-13-9-19(25-24-13)23-18-10-16(21-14(2)22-18)17-6-4-8-26(17)12-15-5-3-7-20-11-15/h3,5,7,9-11,17H,4,6,8,12H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyOPBHTVXFXCBITK-UHFFFAOYSA-N
XLogP3.29
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110255606
6-[(2S)-1-(1H-imidazol-5-ylmethyl)piperidin-2-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 124979708
4-(1H-imidazol-2-yl)-2-methyl-6-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidine
CID 110099535
2-methyl-6-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95820587
2-methyl-6-[(2R)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 125016121
2-methyl-6-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 124998938
N-pyridin-2-yl-4-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine
CID 95837564
1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255468
2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 110095459
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 95820169
3-[[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyridine
CID 124992533

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine (CID 110256090) is 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine is Cc1nc(Nc2cc(C)[nH]n2)cc(C2CCCN2Cc2cccnc2)n1.
What is the InChIKey of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine?
The InChIKey is OPBHTVXFXCBITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-13-9-19(25-24-13)23-18-10-16(21-14(2)22-18)17-6-4-8-26(17)12-15-5-3-7-20-11-15/h3,5,7,9-11,17H,4,6,8,12H2,1-2H3,(H2,21,22,23,24,25).
What are the key properties of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine?
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine has a molecular weight of 349.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 110256090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).