1-[2-(methylamino)pyrimidin-4-yl]cyclopropane-1-carboxylic acid

C9H11N3O2 — CID 174795898

IUPAC1-[2-(methylamino)pyrimidin-4-yl]cyclopropane-1-carboxylic acid
SMILESCNc1nccc(C2(C(=O)O)CC2)n1
InChIInChI=1S/C9H11N3O2/c1-10-8-11-5-2-6(12-8)9(3-4-9)7(13)14/h2,5H,3-4H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyAYBNQDITFJPNLR-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.63
Rot. Bonds3

About 1-[2-(methylamino)pyrimidin-4-yl]cyclopropane-1-carboxylic acid

1-[2-(methylamino)pyrimidin-4-yl]cyclopropane-1-carboxylic acid (PubChem CID 174795898) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-[2-(methylamino)pyrimidin-4-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(methylamino)pyrimidin-4-yl]cyclopropane-1-carboxylic acid
PubChem CID174795898
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-[2-(methylamino)pyrimidin-4-yl]cyclopropane-1-carboxylic acid
SMILESCNc1nccc(C2(C(=O)O)CC2)n1
InChIInChI=1S/C9H11N3O2/c1-10-8-11-5-2-6(12-8)9(3-4-9)7(13)14/h2,5H,3-4H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyAYBNQDITFJPNLR-UHFFFAOYSA-N
XLogP0.63
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-butylpyrimidin-4-yl)cyclopropane-1-carboxylic acid
CID 83857617
1-(2-aminopyrimidin-4-yl)cyclobutane-1-carboxylic acid
CID 83847292
1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 56604209
1-[6-ethyl-5-(methylamino)-2-pyridinyl]cyclobutane-1-carboxylic acid
CID 155738957
1-[(4-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid
CID 65452469
N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322389
1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674543
1-(6-methyl-2-pyridinyl)cyclopentane-1-carboxylic acid
CID 96617960
1-(5-propan-2-yl-2-pyridinyl)cyclopropane-1-carboxylic acid
CID 115009111
1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80754186
1-[4-[2-(methylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone
CID 80821422
2-[(1-methylcyclopropyl)amino]pyrimidine-4-carboxylic acid
CID 107554402

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)pyrimidin-4-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-(methylamino)pyrimidin-4-yl]cyclopropane-1-carboxylic acid (CID 174795898) is 1-[2-(methylamino)pyrimidin-4-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(methylamino)pyrimidin-4-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-(methylamino)pyrimidin-4-yl]cyclopropane-1-carboxylic acid is CNc1nccc(C2(C(=O)O)CC2)n1.
What is the InChIKey of 1-[2-(methylamino)pyrimidin-4-yl]cyclopropane-1-carboxylic acid?
The InChIKey is AYBNQDITFJPNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-10-8-11-5-2-6(12-8)9(3-4-9)7(13)14/h2,5H,3-4H2,1H3,(H,13,14)(H,10,11,12).
What are the key properties of 1-[2-(methylamino)pyrimidin-4-yl]cyclopropane-1-carboxylic acid?
1-[2-(methylamino)pyrimidin-4-yl]cyclopropane-1-carboxylic acid has a molecular weight of 193.21 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)pyrimidin-4-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 174795898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).