2-[cyclopropyl(methyl)amino]pyrimidine-5-carboxylic acid

C9H11N3O2 — CID 83830301

IUPAC2-[cyclopropyl(methyl)amino]pyrimidine-5-carboxylic acid
SMILESCN(c1ncc(C(=O)O)cn1)C1CC1
InChIInChI=1S/C9H11N3O2/c1-12(7-2-3-7)9-10-4-6(5-11-9)8(13)14/h4-5,7H,2-3H2,1H3,(H,13,14)
InChIKeyOTAUBHLSZQEGAU-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.77
Rot. Bonds3

About 2-[cyclopropyl(methyl)amino]pyrimidine-5-carboxylic acid

2-[cyclopropyl(methyl)amino]pyrimidine-5-carboxylic acid (PubChem CID 83830301) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]pyrimidine-5-carboxylic acid
PubChem CID83830301
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-[cyclopropyl(methyl)amino]pyrimidine-5-carboxylic acid
SMILESCN(c1ncc(C(=O)O)cn1)C1CC1
InChIInChI=1S/C9H11N3O2/c1-12(7-2-3-7)9-10-4-6(5-11-9)8(13)14/h4-5,7H,2-3H2,1H3,(H,13,14)
InChIKeyOTAUBHLSZQEGAU-UHFFFAOYSA-N
XLogP0.77
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(methyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181070
5-methyl-6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 80631277
4-[methyl-(5-methylpyrimidin-2-yl)amino]cyclohexan-1-ol
CID 116978157
2-[cyclopropyl(methyl)amino]-4-ethylpyrimidine-5-carboxylic acid
CID 83838220
tert-butyl 4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate
CID 172906292
6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid
CID 80631026
6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid
CID 43611328
4-N-(5-tert-butylpyrimidin-2-yl)-4-N-methylcyclohexane-1,4-diamine
CID 116977647
2-(diethylamino)pyrimidine-5-carboxylic acid
CID 42281393
1-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]ethanone;ethane
CID 170568901
2-[N-(cyclopropylmethyl)-3,5-bis(triethylsilyl)anilino]pyrimidine-5-carboxylic acid
CID 46917474
2-[methyl(3-tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-trienyl)amino]pyrimidine-5-carboxylic acid
CID 25190044

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(methyl)amino]pyrimidine-5-carboxylic acid (CID 83830301) is 2-[cyclopropyl(methyl)amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]pyrimidine-5-carboxylic acid is CN(c1ncc(C(=O)O)cn1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]pyrimidine-5-carboxylic acid?
The InChIKey is OTAUBHLSZQEGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-12(7-2-3-7)9-10-4-6(5-11-9)8(13)14/h4-5,7H,2-3H2,1H3,(H,13,14).
What are the key properties of 2-[cyclopropyl(methyl)amino]pyrimidine-5-carboxylic acid?
2-[cyclopropyl(methyl)amino]pyrimidine-5-carboxylic acid has a molecular weight of 193.21 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83830301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).