methyl 4-cyclopropyl-6-(methylamino)pyrimidine-2-carboxylate

C10H13N3O2 — CID 66285751

IUPACmethyl 4-cyclopropyl-6-(methylamino)pyrimidine-2-carboxylate
SMILESCNc1cc(C2CC2)nc(C(=O)OC)n1
InChIInChI=1S/C10H13N3O2/c1-11-8-5-7(6-3-4-6)12-9(13-8)10(14)15-2/h5-6H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyHUSCWFDJWOAZJP-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.18
Rot. Bonds3

About methyl 4-cyclopropyl-6-(methylamino)pyrimidine-2-carboxylate

methyl 4-cyclopropyl-6-(methylamino)pyrimidine-2-carboxylate (PubChem CID 66285751) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 4-cyclopropyl-6-(methylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyclopropyl-6-(methylamino)pyrimidine-2-carboxylate
PubChem CID66285751
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Namemethyl 4-cyclopropyl-6-(methylamino)pyrimidine-2-carboxylate
SMILESCNc1cc(C2CC2)nc(C(=O)OC)n1
InChIInChI=1S/C10H13N3O2/c1-11-8-5-7(6-3-4-6)12-9(13-8)10(14)15-2/h5-6H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyHUSCWFDJWOAZJP-UHFFFAOYSA-N
XLogP1.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-cyclopropyl-6-(methylamino)pyrimidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66284805
methyl 4-cyclohexyl-6-methylpyrimidine-2-carboxylate
CID 116895236
methyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate
CID 106715741
methyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate
CID 122239307
2-tert-butyl-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63353528
6-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-methylpyrimidin-4-amine
CID 63353878
4-[4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]phenol
CID 135975477
2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylic acid;methyl 2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylate
CID 162153894
methyl 5-[4-(2-methoxycarbonylpyrimidin-5-yl)cyclohexyl]pyrimidine-2-carboxylate
CID 170080455
ethyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate
CID 165398321
methyl 2-chloro-6-cyclopropyl-3-fluoropyridine-4-carboxylate
CID 131511463
6-cyclopropyl-N-methyl-2-phenylpyrimidin-4-amine
CID 63353488

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclopropyl-6-(methylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-cyclopropyl-6-(methylamino)pyrimidine-2-carboxylate (CID 66285751) is methyl 4-cyclopropyl-6-(methylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-cyclopropyl-6-(methylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-cyclopropyl-6-(methylamino)pyrimidine-2-carboxylate is CNc1cc(C2CC2)nc(C(=O)OC)n1.
What is the InChIKey of methyl 4-cyclopropyl-6-(methylamino)pyrimidine-2-carboxylate?
The InChIKey is HUSCWFDJWOAZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-11-8-5-7(6-3-4-6)12-9(13-8)10(14)15-2/h5-6H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of methyl 4-cyclopropyl-6-(methylamino)pyrimidine-2-carboxylate?
methyl 4-cyclopropyl-6-(methylamino)pyrimidine-2-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclopropyl-6-(methylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 66285751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).