5-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one

C14H21ClN4O — CID 80978849

IUPAC5-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCCCc1nc(Cl)c(C)c(NC2CCC(=O)N(C)C2)n1
InChIInChI=1S/C14H21ClN4O/c1-4-5-11-17-13(15)9(2)14(18-11)16-10-6-7-12(20)19(3)8-10/h10H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyABWQEEGKFFEHCB-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.42
Rot. Bonds4

About 5-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one

5-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one (PubChem CID 80978849) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
PubChem CID80978849
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name5-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCCCc1nc(Cl)c(C)c(NC2CCC(=O)N(C)C2)n1
InChIInChI=1S/C14H21ClN4O/c1-4-5-11-17-13(15)9(2)14(18-11)16-10-6-7-12(20)19(3)8-10/h10H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyABWQEEGKFFEHCB-UHFFFAOYSA-N
XLogP2.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine
CID 80970697
5-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 80983892
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106257553
5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64669042
6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80972193
6-chloro-N-cyclohex-3-en-1-yl-5-methyl-2-propylpyrimidin-4-amine
CID 114156780
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]piperidine-2,6-dione
CID 80977980
6-chloro-5-methyl-N-(2-methylcyclopropyl)-2-propylpyrimidin-4-amine
CID 80971739
5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 114043853
6-chloro-5-methyl-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine
CID 80970319
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80972579
6-chloro-2-ethyl-5-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80970615

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one (CID 80978849) is 5-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one is CCCc1nc(Cl)c(C)c(NC2CCC(=O)N(C)C2)n1.
What is the InChIKey of 5-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is ABWQEEGKFFEHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-4-5-11-17-13(15)9(2)14(18-11)16-10-6-7-12(20)19(3)8-10/h10H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 5-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
5-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 296.80 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 80978849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).