4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one

C16H23N5O2 — CID 86287002

IUPAC4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one
SMILESCc1nc(N)ncc1C(=O)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C16H23N5O2/c1-11-13(9-18-16(17)19-11)15(23)20-7-8-21(14(22)10-20)12-5-3-2-4-6-12/h9,12H,2-8,10H2,1H3,(H2,17,18,19)
InChIKeyJCOLVMSPFLRUHJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.98
Rot. Bonds2

About 4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one

4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one (PubChem CID 86287002) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one
PubChem CID86287002
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one
SMILESCc1nc(N)ncc1C(=O)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C16H23N5O2/c1-11-13(9-18-16(17)19-11)15(23)20-7-8-21(14(22)10-20)12-5-3-2-4-6-12/h9,12H,2-8,10H2,1H3,(H2,17,18,19)
InChIKeyJCOLVMSPFLRUHJ-UHFFFAOYSA-N
XLogP0.98
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one
CID 56739229
(2-amino-4-methylpyrimidin-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 95851494
4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one
CID 86285127
1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one
CID 56918809
(3R)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N-cyclopentyl-3-methylpiperidine-3-carboxamide
CID 92632445
1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one
CID 70782658
3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide
CID 131918987
1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one
CID 118785701
1-cyclohexyl-4-(5-propan-2-yl-1-benzofuran-2-carbonyl)piperazin-2-one
CID 130281541
1-cyclohexyl-4-[1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-2-one
CID 46964597
1-cyclopropyl-4-(2-pyrazol-1-ylpyridine-3-carbonyl)piperazin-2-one
CID 71863506
azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
CID 20959486

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one?
The IUPAC name of 4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one (CID 86287002) is 4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one.
What is the SMILES notation for 4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one?
The canonical SMILES for 4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one is Cc1nc(N)ncc1C(=O)N1CCN(C2CCCCC2)C(=O)C1.
What is the InChIKey of 4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one?
The InChIKey is JCOLVMSPFLRUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-13(9-18-16(17)19-11)15(23)20-7-8-21(14(22)10-20)12-5-3-2-4-6-12/h9,12H,2-8,10H2,1H3,(H2,17,18,19).
What are the key properties of 4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one?
4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one has a molecular weight of 317.39 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one is sourced from PubChem (CID 86287002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).