6-methyl-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C18H22N6 — CID 91961042

IUPAC6-methyl-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NC(C)c3ccccn3)nc(N3CCCC3)nc2[nH]1
InChIInChI=1S/C18H22N6/c1-12-11-14-16(20-12)22-18(24-9-5-6-10-24)23-17(14)21-13(2)15-7-3-4-8-19-15/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H2,20,21,22,23)
InChIKeyKYIMNQQRJJAVCY-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.43
Rot. Bonds4

About 6-methyl-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-methyl-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 91961042) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 6-methyl-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID91961042
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name6-methyl-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NC(C)c3ccccn3)nc(N3CCCC3)nc2[nH]1
InChIInChI=1S/C18H22N6/c1-12-11-14-16(20-12)22-18(24-9-5-6-10-24)23-17(14)21-13(2)15-7-3-4-8-19-15/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H2,20,21,22,23)
InChIKeyKYIMNQQRJJAVCY-UHFFFAOYSA-N
XLogP3.43
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(pyridin-2-ylmethyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91960947
6-methyl-2-morpholin-4-yl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961190
4-(azepan-1-yl)-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 91961000
6-methyl-N-(4-phenoxyphenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961019
2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline
CID 43682397
N-(3,4-difluorophenyl)-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91960952
N-(5-chloro-2-methylphenyl)-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91960897
N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91960829
4-[[(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]benzoic acid
CID 91960995
2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline
CID 20706847
N-benzyl-N-ethyl-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961046
[2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone
CID 74767836

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 91961042) is 6-methyl-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc2c(NC(C)c3ccccn3)nc(N3CCCC3)nc2[nH]1.
What is the InChIKey of 6-methyl-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is KYIMNQQRJJAVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-12-11-14-16(20-12)22-18(24-9-5-6-10-24)23-17(14)21-13(2)15-7-3-4-8-19-15/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 6-methyl-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-methyl-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 322.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91961042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).