4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide

C17H23N7O — CID 168877420

IUPAC4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCC1(N)CCN(c2ncc(C(=O)NCc3ccccn3)c(N)n2)CC1
InChIInChI=1S/C17H23N7O/c1-17(19)5-8-24(9-6-17)16-22-11-13(14(18)23-16)15(25)21-10-12-4-2-3-7-20-12/h2-4,7,11H,5-6,8-10,19H2,1H3,(H,21,25)(H2,18,22,23)
InChIKeyGYDRYNGYBHRBCC-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.70
Rot. Bonds4

About 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide

4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 168877420) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID168877420
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCC1(N)CCN(c2ncc(C(=O)NCc3ccccn3)c(N)n2)CC1
InChIInChI=1S/C17H23N7O/c1-17(19)5-8-24(9-6-17)16-22-11-13(14(18)23-16)15(25)21-10-12-4-2-3-7-20-12/h2-4,7,11H,5-6,8-10,19H2,1H3,(H,21,25)(H2,18,22,23)
InChIKeyGYDRYNGYBHRBCC-UHFFFAOYSA-N
XLogP0.70
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Palbociclib
CID 5330286
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
Prt-060318
CID 11493841
Dalpiciclib
CID 86279927
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108892
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-(2-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}ethyl)pyrimidine-5-carboxamide
CID 16108893
2-cyano-4-(cyclohexylamino)-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108902
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[3-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108904
Prostaglandin D synthase (hematopoietic-type) inhibitor F092
CID 134812607
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 145946080
Pimefyllin
CID 65597
Palbociclib hydrochloride
CID 11431660

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide (CID 168877420) is 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide is CC1(N)CCN(c2ncc(C(=O)NCc3ccccn3)c(N)n2)CC1.
What is the InChIKey of 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is GYDRYNGYBHRBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-17(19)5-8-24(9-6-17)16-22-11-13(14(18)23-16)15(25)21-10-12-4-2-3-7-20-12/h2-4,7,11H,5-6,8-10,19H2,1H3,(H,21,25)(H2,18,22,23).
What are the key properties of 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 168877420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).