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

C11H15N3O2 — CID 107924798

IUPACmethyl 4-amino-2-(2,2-dimethylcyclopropyl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(C2CC2(C)C)nc1N
InChIInChI=1S/C11H15N3O2/c1-11(2)4-7(11)9-13-5-6(8(12)14-9)10(15)16-3/h5,7H,4H2,1-3H3,(H2,12,13,14)
InChIKeyQZBOIOMJHKDECP-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.36
Rot. Bonds2

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

methyl 4-amino-2-(2,2-dimethylcyclopropyl)pyrimidine-5-carboxylate (PubChem CID 107924798) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 4-amino-2-(2,2-dimethylcyclopropyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-(2,2-dimethylcyclopropyl)pyrimidine-5-carboxylate
PubChem CID107924798
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Namemethyl 4-amino-2-(2,2-dimethylcyclopropyl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(C2CC2(C)C)nc1N
InChIInChI=1S/C11H15N3O2/c1-11(2)4-7(11)9-13-5-6(8(12)14-9)10(15)16-3/h5,7H,4H2,1-3H3,(H2,12,13,14)
InChIKeyQZBOIOMJHKDECP-UHFFFAOYSA-N
XLogP1.36
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.36
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-dimethylcyclopropyl)pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-amino-2-(2,2-dimethylcyclopropyl)pyrimidine-5-carboxylate (CID 107924798) is methyl 4-amino-2-(2,2-dimethylcyclopropyl)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-amino-2-(2,2-dimethylcyclopropyl)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-amino-2-(2,2-dimethylcyclopropyl)pyrimidine-5-carboxylate is COC(=O)c1cnc(C2CC2(C)C)nc1N.
What is the InChIKey of methyl 4-amino-2-(2,2-dimethylcyclopropyl)pyrimidine-5-carboxylate?
The InChIKey is QZBOIOMJHKDECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-11(2)4-7(11)9-13-5-6(8(12)14-9)10(15)16-3/h5,7H,4H2,1-3H3,(H2,12,13,14).
What are the key properties of methyl 4-amino-2-(2,2-dimethylcyclopropyl)pyrimidine-5-carboxylate?
methyl 4-amino-2-(2,2-dimethylcyclopropyl)pyrimidine-5-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.36, 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-dimethylcyclopropyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 107924798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).