methyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate

C11H17N3O2 — CID 116647606

IUPACmethyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(CC(C)C)nc1N
InChIInChI=1S/C11H17N3O2/c1-6(2)5-8-13-7(3)9(10(12)14-8)11(15)16-4/h6H,5H2,1-4H3,(H2,12,13,14)
InChIKeyYHDZVBLJQVYBKK-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.35
Rot. Bonds3

About methyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate

methyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate (PubChem CID 116647606) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate
PubChem CID116647606
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(CC(C)C)nc1N
InChIInChI=1S/C11H17N3O2/c1-6(2)5-8-13-7(3)9(10(12)14-8)11(15)16-4/h6H,5H2,1-4H3,(H2,12,13,14)
InChIKeyYHDZVBLJQVYBKK-UHFFFAOYSA-N
XLogP1.35
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate (CID 116647606) is methyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate is COC(=O)c1c(C)nc(CC(C)C)nc1N.
What is the InChIKey of methyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate?
The InChIKey is YHDZVBLJQVYBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-6(2)5-8-13-7(3)9(10(12)14-8)11(15)16-4/h6H,5H2,1-4H3,(H2,12,13,14).
What are the key properties of methyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate?
methyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 116647606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).