methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate

C12H19N3O2 — CID 113470480

IUPACmethyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate
SMILESCCC(C)(C)Nc1cc(C)nc(C(=O)OC)n1
InChIInChI=1S/C12H19N3O2/c1-6-12(3,4)15-9-7-8(2)13-10(14-9)11(16)17-5/h7H,6H2,1-5H3,(H,13,14,15)
InChIKeyKIQNIXPNIMAPEO-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.17
Rot. Bonds4

About methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate

methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate (PubChem CID 113470480) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate
PubChem CID113470480
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namemethyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate
SMILESCCC(C)(C)Nc1cc(C)nc(C(=O)OC)n1
InChIInChI=1S/C12H19N3O2/c1-6-12(3,4)15-9-7-8(2)13-10(14-9)11(16)17-5/h7H,6H2,1-5H3,(H,13,14,15)
InChIKeyKIQNIXPNIMAPEO-UHFFFAOYSA-N
XLogP2.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate (CID 113470480) is methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate is CCC(C)(C)Nc1cc(C)nc(C(=O)OC)n1.
What is the InChIKey of methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate?
The InChIKey is KIQNIXPNIMAPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-6-12(3,4)15-9-7-8(2)13-10(14-9)11(16)17-5/h7H,6H2,1-5H3,(H,13,14,15).
What are the key properties of methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate?
methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 113470480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).