2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid

C12H15N3O3 — CID 136959028

IUPAC2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C12H15N3O3/c16-10-4-9(13-12(14-10)8-1-2-8)15-5-7(6-15)3-11(17)18/h4,7-8H,1-3,5-6H2,(H,17,18)(H,13,14,16)
InChIKeyYARMQUZORBMKOV-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.56
Rot. Bonds4

About 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid

2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid (PubChem CID 136959028) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid
PubChem CID136959028
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C12H15N3O3/c16-10-4-9(13-12(14-10)8-1-2-8)15-5-7(6-15)3-11(17)18/h4,7-8H,1-3,5-6H2,(H,17,18)(H,13,14,16)
InChIKeyYARMQUZORBMKOV-UHFFFAOYSA-N
XLogP0.56
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-(3-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009930
2-cyclopropyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 137009758
2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one
CID 137009710
2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821998
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 137008934
2-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136961769
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid
CID 136978433
2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 136958750
2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one
CID 137009763
2-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 136958773
2-cyclopropyl-4-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137007807
methyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate
CID 137007527

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid (CID 136959028) is 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(c2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid?
The InChIKey is YARMQUZORBMKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-10-4-9(13-12(14-10)8-1-2-8)15-5-7(6-15)3-11(17)18/h4,7-8H,1-3,5-6H2,(H,17,18)(H,13,14,16).
What are the key properties of 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid?
2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid has a molecular weight of 249.27 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 136959028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).