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

C14H19N3O3 — CID 136958487

IUPAC4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C14H19N3O3/c18-12-7-11(16-13(17-12)8-1-2-8)15-10-5-3-9(4-6-10)14(19)20/h7-10H,1-6H2,(H,19,20)(H2,15,16,17,18)
InChIKeyDZAJSDICYUPNDZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.70
Rot. Bonds4

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

4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 136958487) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID136958487
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C14H19N3O3/c18-12-7-11(16-13(17-12)8-1-2-8)15-10-5-3-9(4-6-10)14(19)20/h7-10H,1-6H2,(H,19,20)(H2,15,16,17,18)
InChIKeyDZAJSDICYUPNDZ-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (CID 136958487) is 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Nc2cc(=O)[nH]c(C3CC3)n2)CC1.
What is the InChIKey of 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DZAJSDICYUPNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-12-7-11(16-13(17-12)8-1-2-8)15-10-5-3-9(4-6-10)14(19)20/h7-10H,1-6H2,(H,19,20)(H2,15,16,17,18).
What are the key properties of 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 136958487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).