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

C15H21N3O3 — CID 136958588

IUPAC2-cyclohexyl-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)C(Nc1cc(=O)[nH]c(C2CC2)n1)C1CCCCC1
InChIInChI=1S/C15H21N3O3/c19-12-8-11(17-14(18-12)10-6-7-10)16-13(15(20)21)9-4-2-1-3-5-9/h8-10,13H,1-7H2,(H,20,21)(H2,16,17,18,19)
InChIKeyBMNOLXFUMZGNQE-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.09
Rot. Bonds5

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

2-cyclohexyl-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958588) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958588
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-cyclohexyl-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)C(Nc1cc(=O)[nH]c(C2CC2)n1)C1CCCCC1
InChIInChI=1S/C15H21N3O3/c19-12-8-11(17-14(18-12)10-6-7-10)16-13(15(20)21)9-4-2-1-3-5-9/h8-10,13H,1-7H2,(H,20,21)(H2,16,17,18,19)
InChIKeyBMNOLXFUMZGNQE-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958588) is 2-cyclohexyl-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is O=C(O)C(Nc1cc(=O)[nH]c(C2CC2)n1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is BMNOLXFUMZGNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-12-8-11(17-14(18-12)10-6-7-10)16-13(15(20)21)9-4-2-1-3-5-9/h8-10,13H,1-7H2,(H,20,21)(H2,16,17,18,19).
What are the key properties of 2-cyclohexyl-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-cyclohexyl-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).