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

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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).