2-[6-oxo-2-(1-phenylcyclopropyl)-1H-pyrimidin-5-yl]acetic acid

C15H14N2O3 — CID 100591958

IUPAC2-[6-oxo-2-(1-phenylcyclopropyl)-1H-pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(C2(c3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C15H14N2O3/c18-12(19)8-10-9-16-14(17-13(10)20)15(6-7-15)11-4-2-1-3-5-11/h1-5,9H,6-8H2,(H,18,19)(H,16,17,20)
InChIKeyYDGGJRXUWCGUMU-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.48
Rot. Bonds4

About 2-[6-oxo-2-(1-phenylcyclopropyl)-1H-pyrimidin-5-yl]acetic acid

2-[6-oxo-2-(1-phenylcyclopropyl)-1H-pyrimidin-5-yl]acetic acid (PubChem CID 100591958) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[6-oxo-2-(1-phenylcyclopropyl)-1H-pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[6-oxo-2-(1-phenylcyclopropyl)-1H-pyrimidin-5-yl]acetic acid
PubChem CID100591958
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-[6-oxo-2-(1-phenylcyclopropyl)-1H-pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(C2(c3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C15H14N2O3/c18-12(19)8-10-9-16-14(17-13(10)20)15(6-7-15)11-4-2-1-3-5-11/h1-5,9H,6-8H2,(H,18,19)(H,16,17,20)
InChIKeyYDGGJRXUWCGUMU-UHFFFAOYSA-N
XLogP1.48
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(bromomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one
CID 114205547
5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
CID 66316774
5-ethyl-4-hydroxy-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
CID 63611596
2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941469
2-(1-phenylcyclopropyl)-3,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one;hydrochloride
CID 167523966
[2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine
CID 63108823
4-hydroxy-5-iodo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
CID 66284571
N-methyl-1-[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methanamine
CID 63108633
5-(chloromethyl)-2-(4-phenyloxan-4-yl)-1H-imidazole
CID 55177669
5-(aminomethyl)-2-(1-phenylcyclopropyl)pyrimidin-4-amine
CID 64574343
5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidine-6-thione
CID 106480974
2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetic acid
CID 83851930

Frequently Asked Questions

What is the IUPAC name of 2-[6-oxo-2-(1-phenylcyclopropyl)-1H-pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[6-oxo-2-(1-phenylcyclopropyl)-1H-pyrimidin-5-yl]acetic acid (CID 100591958) is 2-[6-oxo-2-(1-phenylcyclopropyl)-1H-pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[6-oxo-2-(1-phenylcyclopropyl)-1H-pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[6-oxo-2-(1-phenylcyclopropyl)-1H-pyrimidin-5-yl]acetic acid is O=C(O)Cc1cnc(C2(c3ccccc3)CC2)[nH]c1=O.
What is the InChIKey of 2-[6-oxo-2-(1-phenylcyclopropyl)-1H-pyrimidin-5-yl]acetic acid?
The InChIKey is YDGGJRXUWCGUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-12(19)8-10-9-16-14(17-13(10)20)15(6-7-15)11-4-2-1-3-5-11/h1-5,9H,6-8H2,(H,18,19)(H,16,17,20).
What are the key properties of 2-[6-oxo-2-(1-phenylcyclopropyl)-1H-pyrimidin-5-yl]acetic acid?
2-[6-oxo-2-(1-phenylcyclopropyl)-1H-pyrimidin-5-yl]acetic acid has a molecular weight of 270.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-oxo-2-(1-phenylcyclopropyl)-1H-pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 100591958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).