5-[(6-chloro-2-propylpyrimidin-4-yl)amino]piperidin-2-one

C12H17ClN4O — CID 80946515

IUPAC5-[(6-chloro-2-propylpyrimidin-4-yl)amino]piperidin-2-one
SMILESCCCc1nc(Cl)cc(NC2CCC(=O)NC2)n1
InChIInChI=1S/C12H17ClN4O/c1-2-3-10-16-9(13)6-11(17-10)15-8-4-5-12(18)14-7-8/h6,8H,2-5,7H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyUCEDWVCMPUABAE-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.77
Rot. Bonds4

About 5-[(6-chloro-2-propylpyrimidin-4-yl)amino]piperidin-2-one

5-[(6-chloro-2-propylpyrimidin-4-yl)amino]piperidin-2-one (PubChem CID 80946515) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 5-[(6-chloro-2-propylpyrimidin-4-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name5-[(6-chloro-2-propylpyrimidin-4-yl)amino]piperidin-2-one
PubChem CID80946515
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name5-[(6-chloro-2-propylpyrimidin-4-yl)amino]piperidin-2-one
SMILESCCCc1nc(Cl)cc(NC2CCC(=O)NC2)n1
InChIInChI=1S/C12H17ClN4O/c1-2-3-10-16-9(13)6-11(17-10)15-8-4-5-12(18)14-7-8/h6,8H,2-5,7H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyUCEDWVCMPUABAE-UHFFFAOYSA-N
XLogP1.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Amino-6-chloro-4-pyrimidinyl)-4-piperidinecarboxamide
CID 1484522
N-(4-chloro-6-piperazin-1-ylpyrimidin-2-yl)tetradecanamide
CID 168279760
1-(2-amino-6-chloropyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 34060469
4-(6-chloropyrimidin-4-yl)-3-oxo-N-propan-2-ylpiperazine-1-carboxamide
CID 134791352
1-(4-(6-(Ethylamino)-2-methylpyrimidin-4-yl)piperazin-1-yl)butan-1-one
CID 50946039
5-[(2,6-Dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64669791
1-[4-[6-Chloro-2-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 132207131
1-[4-[[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 166070959
1-{3-[(2-Amino-6-chloropyrimidin-4-yl)amino]propyl}pyrrolidin-2-one
CID 40011507
1-(6-chloro-2-methylpyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 56805544
(2R)-1-(6-chloro-2-methylpyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95625608
(2S)-1-(6-chloro-2-methylpyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95625609

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-2-propylpyrimidin-4-yl)amino]piperidin-2-one?
The IUPAC name of 5-[(6-chloro-2-propylpyrimidin-4-yl)amino]piperidin-2-one (CID 80946515) is 5-[(6-chloro-2-propylpyrimidin-4-yl)amino]piperidin-2-one.
What is the SMILES notation for 5-[(6-chloro-2-propylpyrimidin-4-yl)amino]piperidin-2-one?
The canonical SMILES for 5-[(6-chloro-2-propylpyrimidin-4-yl)amino]piperidin-2-one is CCCc1nc(Cl)cc(NC2CCC(=O)NC2)n1.
What is the InChIKey of 5-[(6-chloro-2-propylpyrimidin-4-yl)amino]piperidin-2-one?
The InChIKey is UCEDWVCMPUABAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-2-3-10-16-9(13)6-11(17-10)15-8-4-5-12(18)14-7-8/h6,8H,2-5,7H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of 5-[(6-chloro-2-propylpyrimidin-4-yl)amino]piperidin-2-one?
5-[(6-chloro-2-propylpyrimidin-4-yl)amino]piperidin-2-one has a molecular weight of 268.75 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-2-propylpyrimidin-4-yl)amino]piperidin-2-one is sourced from PubChem (CID 80946515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).