methyl 4-amino-2-(2,2-dimethylpropyl)pyrimidine-5-carboxylate

C11H17N3O2 — CID 116646618

IUPACmethyl 4-amino-2-(2,2-dimethylpropyl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(CC(C)(C)C)nc1N
InChIInChI=1S/C11H17N3O2/c1-11(2,3)5-8-13-6-7(9(12)14-8)10(15)16-4/h6H,5H2,1-4H3,(H2,12,13,14)
InChIKeyCEIATTPGQORJQV-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.43
Rot. Bonds2

About methyl 4-amino-2-(2,2-dimethylpropyl)pyrimidine-5-carboxylate

methyl 4-amino-2-(2,2-dimethylpropyl)pyrimidine-5-carboxylate (PubChem CID 116646618) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 4-amino-2-(2,2-dimethylpropyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-(2,2-dimethylpropyl)pyrimidine-5-carboxylate
PubChem CID116646618
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 4-amino-2-(2,2-dimethylpropyl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(CC(C)(C)C)nc1N
InChIInChI=1S/C11H17N3O2/c1-11(2,3)5-8-13-6-7(9(12)14-8)10(15)16-4/h6H,5H2,1-4H3,(H2,12,13,14)
InChIKeyCEIATTPGQORJQV-UHFFFAOYSA-N
XLogP1.43
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(2,2-dimethylpropyl)pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-amino-2-(2,2-dimethylpropyl)pyrimidine-5-carboxylate (CID 116646618) is methyl 4-amino-2-(2,2-dimethylpropyl)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-amino-2-(2,2-dimethylpropyl)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-amino-2-(2,2-dimethylpropyl)pyrimidine-5-carboxylate is COC(=O)c1cnc(CC(C)(C)C)nc1N.
What is the InChIKey of methyl 4-amino-2-(2,2-dimethylpropyl)pyrimidine-5-carboxylate?
The InChIKey is CEIATTPGQORJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)5-8-13-6-7(9(12)14-8)10(15)16-4/h6H,5H2,1-4H3,(H2,12,13,14).
What are the key properties of methyl 4-amino-2-(2,2-dimethylpropyl)pyrimidine-5-carboxylate?
methyl 4-amino-2-(2,2-dimethylpropyl)pyrimidine-5-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(2,2-dimethylpropyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 116646618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).