1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid

C12H15N3O2 — CID 126848203

IUPAC1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(c2cc(CC3CC3)ncn2)C1
InChIInChI=1S/C12H15N3O2/c16-12(17)9-5-15(6-9)11-4-10(13-7-14-11)3-8-1-2-8/h4,7-9H,1-3,5-6H2,(H,16,17)
InChIKeyPEWVBOUVNHTJBP-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.95
Rot. Bonds4

About 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid

1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid (PubChem CID 126848203) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid
PubChem CID126848203
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(c2cc(CC3CC3)ncn2)C1
InChIInChI=1S/C12H15N3O2/c16-12(17)9-5-15(6-9)11-4-10(13-7-14-11)3-8-1-2-8/h4,7-9H,1-3,5-6H2,(H,16,17)
InChIKeyPEWVBOUVNHTJBP-UHFFFAOYSA-N
XLogP0.95
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 126848226
ethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate
CID 126849578
1-[6-(difluoromethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid
CID 126849052
1-(6-cyanopyrimidin-4-yl)azetidine-3-carboxylic acid
CID 127019238
5-[4-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one
CID 167820290
2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 62689410
1-(6-thiophen-2-ylpyrimidin-4-yl)azetidine-3-carboxylic acid
CID 126848857
1-(6-ethylpyrimidin-4-yl)azetidin-3-amine
CID 63759800
2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid
CID 126848240
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 166605798
(4-butylcyclohexyl)-[4-[1-[6-(cyclopropylmethyl)pyrimidin-4-yl]pyrrolidin-2-yl]piperidin-1-yl]methanone
CID 166318916
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 120963862

Frequently Asked Questions

What is the IUPAC name of 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid (CID 126848203) is 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid is O=C(O)C1CN(c2cc(CC3CC3)ncn2)C1.
What is the InChIKey of 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid?
The InChIKey is PEWVBOUVNHTJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-12(17)9-5-15(6-9)11-4-10(13-7-14-11)3-8-1-2-8/h4,7-9H,1-3,5-6H2,(H,16,17).
What are the key properties of 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid?
1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid is sourced from PubChem (CID 126848203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).