4-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridin-2-one

C17H22N6O — CID 138384265

IUPAC4-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridin-2-one
SMILESNc1nc(NC2CC2)cc(N2CCC(c3cc[nH]c(=O)c3)CC2)n1
InChIInChI=1S/C17H22N6O/c18-17-21-14(20-13-1-2-13)10-15(22-17)23-7-4-11(5-8-23)12-3-6-19-16(24)9-12/h3,6,9-11,13H,1-2,4-5,7-8H2,(H,19,24)(H3,18,20,21,22)
InChIKeyZKFBBPKMGCZMKZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.71
Rot. Bonds4

About 4-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridin-2-one

4-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 138384265) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridin-2-one
PubChem CID138384265
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name4-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridin-2-one
SMILESNc1nc(NC2CC2)cc(N2CCC(c3cc[nH]c(=O)c3)CC2)n1
InChIInChI=1S/C17H22N6O/c18-17-21-14(20-13-1-2-13)10-15(22-17)23-7-4-11(5-8-23)12-3-6-19-16(24)9-12/h3,6,9-11,13H,1-2,4-5,7-8H2,(H,19,24)(H3,18,20,21,22)
InChIKeyZKFBBPKMGCZMKZ-UHFFFAOYSA-N
XLogP1.71
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridin-2-one (CID 138384265) is 4-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridin-2-one is Nc1nc(NC2CC2)cc(N2CCC(c3cc[nH]c(=O)c3)CC2)n1.
What is the InChIKey of 4-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is ZKFBBPKMGCZMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c18-17-21-14(20-13-1-2-13)10-15(22-17)23-7-4-11(5-8-23)12-3-6-19-16(24)9-12/h3,6,9-11,13H,1-2,4-5,7-8H2,(H,19,24)(H3,18,20,21,22).
What are the key properties of 4-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridin-2-one?
4-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 326.40 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 138384265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).