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

C18H22N6 — CID 22282908

IUPACN-methyl-N-(4-methyl-1-pyridin-2-ylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1CCN(c2ccccn2)CC1N(C)c1ncnc2[nH]ccc12
InChIInChI=1S/C18H22N6/c1-13-7-10-24(16-5-3-4-8-19-16)11-15(13)23(2)18-14-6-9-20-17(14)21-12-22-18/h3-6,8-9,12-13,15H,7,10-11H2,1-2H3,(H,20,21,22)
InChIKeyBVTNPNHLLMJVAZ-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.70
Rot. Bonds3

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

N-methyl-N-(4-methyl-1-pyridin-2-ylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 22282908) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-methyl-N-(4-methyl-1-pyridin-2-ylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(4-methyl-1-pyridin-2-ylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID22282908
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC NameN-methyl-N-(4-methyl-1-pyridin-2-ylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1CCN(c2ccccn2)CC1N(C)c1ncnc2[nH]ccc12
InChIInChI=1S/C18H22N6/c1-13-7-10-24(16-5-3-4-8-19-16)11-15(13)23(2)18-14-6-9-20-17(14)21-12-22-18/h3-6,8-9,12-13,15H,7,10-11H2,1-2H3,(H,20,21,22)
InChIKeyBVTNPNHLLMJVAZ-UHFFFAOYSA-N
XLogP2.70
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[4-methyl-1-(1,3-thiazol-2-yl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 22282985
(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxylic acid
CID 57434379
N,4-dimethyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxamide
CID 68742122
N-methyl-N-[(3R,4R)-4-methyl-1-propylsulfonylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 11473598
N-methyl-N-(2-methylcyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 172970961
(3,4-dihydroxypyrrolidin-1-yl)-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 22282974
1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carbonyl]piperidine-4-carboxylic acid
CID 22282931
benzyl 4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 68900587
1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 22282850
N-[(3R,4R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171354308
tert-butyl 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanoate
CID 152646104
2-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1,3-benzoxazole-6-carboxylic acid
CID 22282885

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methyl-1-pyridin-2-ylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-(4-methyl-1-pyridin-2-ylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 22282908) is N-methyl-N-(4-methyl-1-pyridin-2-ylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-(4-methyl-1-pyridin-2-ylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-(4-methyl-1-pyridin-2-ylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC1CCN(c2ccccn2)CC1N(C)c1ncnc2[nH]ccc12.
What is the InChIKey of N-methyl-N-(4-methyl-1-pyridin-2-ylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is BVTNPNHLLMJVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-13-7-10-24(16-5-3-4-8-19-16)11-15(13)23(2)18-14-6-9-20-17(14)21-12-22-18/h3-6,8-9,12-13,15H,7,10-11H2,1-2H3,(H,20,21,22).
What are the key properties of N-methyl-N-(4-methyl-1-pyridin-2-ylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-(4-methyl-1-pyridin-2-ylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 322.42 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methyl-1-pyridin-2-ylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 22282908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).