1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid

C14H19N3O3 — CID 136958612

IUPAC1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Nc2cc(=O)[nH]c(C3CC3)n2)CCCCC1
InChIInChI=1S/C14H19N3O3/c18-11-8-10(15-12(16-11)9-4-5-9)17-14(13(19)20)6-2-1-3-7-14/h8-9H,1-7H2,(H,19,20)(H2,15,16,17,18)
InChIKeySQENOIPVOMOHDZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.85
Rot. Bonds4

About 1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid

1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 136958612) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID136958612
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Nc2cc(=O)[nH]c(C3CC3)n2)CCCCC1
InChIInChI=1S/C14H19N3O3/c18-11-8-10(15-12(16-11)9-4-5-9)17-14(13(19)20)6-2-1-3-7-14/h8-9H,1-7H2,(H,19,20)(H2,15,16,17,18)
InChIKeySQENOIPVOMOHDZ-UHFFFAOYSA-N
XLogP1.85
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136976584
4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid
CID 136972253
2-cyclopropyl-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136762614
4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973649
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
5-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958938
2-cyclopropyl-4-(piperidin-1-ylamino)-1H-pyrimidin-6-one
CID 136976656
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
2-cyclopropyl-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958788
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid
CID 136972392
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974135
2-cyclopropyl-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976032

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (CID 136958612) is 1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1(Nc2cc(=O)[nH]c(C3CC3)n2)CCCCC1.
What is the InChIKey of 1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is SQENOIPVOMOHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-11-8-10(15-12(16-11)9-4-5-9)17-14(13(19)20)6-2-1-3-7-14/h8-9H,1-7H2,(H,19,20)(H2,15,16,17,18).
What are the key properties of 1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 136958612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).