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

C15H21N3O3 — CID 136695115

IUPAC4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNc2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C15H21N3O3/c19-13-7-12(17-14(18-13)10-5-6-10)16-8-9-1-3-11(4-2-9)15(20)21/h7,9-11H,1-6,8H2,(H,20,21)(H2,16,17,18,19)
InChIKeyRADPGIONVPMUGM-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.95
Rot. Bonds5

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

4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 136695115) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID136695115
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNc2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C15H21N3O3/c19-13-7-12(17-14(18-13)10-5-6-10)16-8-9-1-3-11(4-2-9)15(20)21/h7,9-11H,1-6,8H2,(H,20,21)(H2,16,17,18,19)
InChIKeyRADPGIONVPMUGM-UHFFFAOYSA-N
XLogP1.95
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.95
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]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid (CID 136695115) is 4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CNc2cc(=O)[nH]c(C3CC3)n2)CC1.
What is the InChIKey of 4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is RADPGIONVPMUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-13-7-12(17-14(18-13)10-5-6-10)16-8-9-1-3-11(4-2-9)15(20)21/h7,9-11H,1-6,8H2,(H,20,21)(H2,16,17,18,19).
What are the key properties of 4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.95, 5 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]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 136695115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).