3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one

C17H27N5O — CID 126887802

IUPAC3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCc1cc(NC2CCN(C3CCN(C(C)C)C3=O)CC2)ncn1
InChIInChI=1S/C17H27N5O/c1-12(2)22-9-6-15(17(22)23)21-7-4-14(5-8-21)20-16-10-13(3)18-11-19-16/h10-12,14-15H,4-9H2,1-3H3,(H,18,19,20)
InChIKeyOKCBTCJGQKTOPF-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.67
Rot. Bonds4

About 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one

3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 126887802) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID126887802
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCc1cc(NC2CCN(C3CCN(C(C)C)C3=O)CC2)ncn1
InChIInChI=1S/C17H27N5O/c1-12(2)22-9-6-15(17(22)23)21-7-4-14(5-8-21)20-16-10-13(3)18-11-19-16/h10-12,14-15H,4-9H2,1-3H3,(H,18,19,20)
InChIKeyOKCBTCJGQKTOPF-UHFFFAOYSA-N
XLogP1.67
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one with MolForge

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Related Compounds

1-methyl-3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one
CID 126887809
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
N-[1-(cyclobutylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887813
6-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887665
3-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 126891000
3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 126891297
3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 126887844
N-(1,2-dimethylpiperidin-4-yl)-6-methylpyrimidin-4-amine
CID 79033350
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237
1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one
CID 126887717
6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887829
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone
CID 126887514

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one (CID 126887802) is 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one is Cc1cc(NC2CCN(C3CCN(C(C)C)C3=O)CC2)ncn1.
What is the InChIKey of 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is OKCBTCJGQKTOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-12(2)22-9-6-15(17(22)23)21-7-4-14(5-8-21)20-16-10-13(3)18-11-19-16/h10-12,14-15H,4-9H2,1-3H3,(H,18,19,20).
What are the key properties of 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one?
3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 317.44 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 126887802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).