1-[(4-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid

C9H11N3O2 — CID 65452469

IUPAC1-[(4-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid
SMILESCc1ccnc(NC2(C(=O)O)CC2)n1
InChIInChI=1S/C9H11N3O2/c1-6-2-5-10-8(11-6)12-9(3-4-9)7(13)14/h2,5H,3-4H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyGIEZZRKQRBGKPZ-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.81
Rot. Bonds3

About 1-[(4-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid

1-[(4-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid (PubChem CID 65452469) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-[(4-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid
PubChem CID65452469
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-[(4-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid
SMILESCc1ccnc(NC2(C(=O)O)CC2)n1
InChIInChI=1S/C9H11N3O2/c1-6-2-5-10-8(11-6)12-9(3-4-9)7(13)14/h2,5H,3-4H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyGIEZZRKQRBGKPZ-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyrimidin-2-ylamino)cycloheptane-1-carboxylic acid
CID 61291427
1-[(4,6-dimethylpyrimidin-2-yl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61292663
3-[(2-methylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 64889068
2-[(1-methylcyclopropyl)amino]pyrimidine-4-carboxylic acid
CID 107554402
1-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 175245235
3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
CID 62960699
3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79654341
N-(4-methylpyrimidin-2-yl)cyclobutanecarboxamide
CID 836596
1-[(4-ethoxypyrimidin-2-yl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 115974051
4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 22135686
4-methyl-1-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65118410
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylpyrimidin-2-amine
CID 78995555

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(4-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid (CID 65452469) is 1-[(4-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid is Cc1ccnc(NC2(C(=O)O)CC2)n1.
What is the InChIKey of 1-[(4-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is GIEZZRKQRBGKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6-2-5-10-8(11-6)12-9(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-[(4-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid?
1-[(4-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 193.21 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65452469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).