6-(3-aminocyclobutyl)-N-[(1-ethylimidazol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine

C17H26N6O — CID 91774718

IUPAC6-(3-aminocyclobutyl)-N-[(1-ethylimidazol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCCn1ccnc1CN(C)c1cc(C2CC(N)C2)nc(COC)n1
InChIInChI=1S/C17H26N6O/c1-4-23-6-5-19-17(23)10-22(2)16-9-14(12-7-13(18)8-12)20-15(21-16)11-24-3/h5-6,9,12-13H,4,7-8,10-11,18H2,1-3H3
InChIKeyNVTAOWGAQXMFLW-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.68
Rot. Bonds7

About 6-(3-aminocyclobutyl)-N-[(1-ethylimidazol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine

6-(3-aminocyclobutyl)-N-[(1-ethylimidazol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 91774718) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[(1-ethylimidazol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[(1-ethylimidazol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID91774718
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name6-(3-aminocyclobutyl)-N-[(1-ethylimidazol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCCn1ccnc1CN(C)c1cc(C2CC(N)C2)nc(COC)n1
InChIInChI=1S/C17H26N6O/c1-4-23-6-5-19-17(23)10-22(2)16-9-14(12-7-13(18)8-12)20-15(21-16)11-24-3/h5-6,9,12-13H,4,7-8,10-11,18H2,1-3H3
InChIKeyNVTAOWGAQXMFLW-UHFFFAOYSA-N
XLogP1.68
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(3-aminocyclobutyl)-N-[(1-ethylimidazol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[(1-ethylimidazol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[(1-ethylimidazol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 91774718) is 6-(3-aminocyclobutyl)-N-[(1-ethylimidazol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[(1-ethylimidazol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[(1-ethylimidazol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine is CCn1ccnc1CN(C)c1cc(C2CC(N)C2)nc(COC)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[(1-ethylimidazol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is NVTAOWGAQXMFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-4-23-6-5-19-17(23)10-22(2)16-9-14(12-7-13(18)8-12)20-15(21-16)11-24-3/h5-6,9,12-13H,4,7-8,10-11,18H2,1-3H3.
What are the key properties of 6-(3-aminocyclobutyl)-N-[(1-ethylimidazol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-[(1-ethylimidazol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 330.44 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[(1-ethylimidazol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 91774718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).