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

C11H16ClN5O — CID 114043853

IUPAC5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCc1nc(Cl)nc(NC2CCC(=O)N(C)C2)c1N
InChIInChI=1S/C11H16ClN5O/c1-6-9(13)10(16-11(12)14-6)15-7-3-4-8(18)17(2)5-7/h7H,3-5,13H2,1-2H3,(H,14,15,16)
InChIKeyNQLVHSGAJWWIHD-UHFFFAOYSA-N
MW269.74 g/mol
LogP1.05
Rot. Bonds2

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

5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one (PubChem CID 114043853) has the molecular formula C11H16ClN5O and a molecular weight of 269.74 g/mol. Its IUPAC name is 5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
PubChem CID114043853
Molecular FormulaC11H16ClN5O
Molecular Weight269.74 g/mol
Exact Mass269.10
IUPAC Name5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCc1nc(Cl)nc(NC2CCC(=O)N(C)C2)c1N
InChIInChI=1S/C11H16ClN5O/c1-6-9(13)10(16-11(12)14-6)15-7-3-4-8(18)17(2)5-7/h7H,3-5,13H2,1-2H3,(H,14,15,16)
InChIKeyNQLVHSGAJWWIHD-UHFFFAOYSA-N
XLogP1.05
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(7S)-2-chloro-4,7,8-trimethyl-5,6,7,8-tetrahydropteridin-6-one
CID 146193989
5-((4,6-Dimethylpyrimidin-2-yl)amino)-1-methylpiperidin-2-one
CID 64668602
(2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide
CID 70727940
1-(4-(4-(Ethylamino)-6-methylpyrimidin-2-yl)piperazin-1-yl)butan-1-one
CID 18566444
Pteridine, 5-acetyl-5,6,7,8-tetrahydro-4-methyl-
CID 23422332
Pteridine, 8-ethyl-2-ethylamino-7,8-dihydro-4-methyl-7-oxo-
CID 171384108
5-[(2,6-Dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64669791
N-[4,6-Dimethyl-2-(4-methylpiperazin-1-YL)pyrimidin-5-YL]acetamide
CID 71807299
N-(4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl)propionamide
CID 71807300
(3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one
CID 128563070
(3S)-4-(4-amino-6-methylpyrimidin-2-yl)-3-ethylpiperazin-2-one
CID 129560868
(7S)-2-chloro-4,8-dimethyl-7-(2,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one
CID 146194465

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one (CID 114043853) is 5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one is Cc1nc(Cl)nc(NC2CCC(=O)N(C)C2)c1N.
What is the InChIKey of 5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is NQLVHSGAJWWIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O/c1-6-9(13)10(16-11(12)14-6)15-7-3-4-8(18)17(2)5-7/h7H,3-5,13H2,1-2H3,(H,14,15,16).
What are the key properties of 5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 269.74 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 114043853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).