4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide

C11H16N4O2 — CID 136956275

IUPAC4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(Nc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H16N4O2/c12-11(17)7-1-3-8(4-2-7)15-9-5-10(16)14-6-13-9/h5-8H,1-4H2,(H2,12,17)(H2,13,14,15,16)
InChIKeyHVMWWUAPWDVDOE-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.23
Rot. Bonds3

About 4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide

4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide (PubChem CID 136956275) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide
PubChem CID136956275
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(Nc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H16N4O2/c12-11(17)7-1-3-8(4-2-7)15-9-5-10(16)14-6-13-9/h5-8H,1-4H2,(H2,12,17)(H2,13,14,15,16)
InChIKeyHVMWWUAPWDVDOE-UHFFFAOYSA-N
XLogP0.23
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 61240888
4-[(3,5-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136956826
N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 170503266
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1H-pyrimidin-6-one
CID 137015539
4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 66325264
4-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide
CID 55130606
4-[(6-methyl-2-pyridinyl)amino]cyclohexane-1-carboxamide
CID 54913613
4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136957054
4-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxamide
CID 61043016
4-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136956697
4-(methylamino)-1H-pyrimidin-6-one
CID 135481447
(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 122456347

Frequently Asked Questions

What is the IUPAC name of 4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide (CID 136956275) is 4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide is NC(=O)C1CCC(Nc2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is HVMWWUAPWDVDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-11(17)7-1-3-8(4-2-7)15-9-5-10(16)14-6-13-9/h5-8H,1-4H2,(H2,12,17)(H2,13,14,15,16).
What are the key properties of 4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 136956275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).