2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one

C20H24N6O2 — CID 136664824

IUPAC2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one
SMILESCOCc1nc(C2CC(N)C2)cc(N(C)Cc2nc3ccccc3c(=O)[nH]2)n1
InChIInChI=1S/C20H24N6O2/c1-26(10-17-22-15-6-4-3-5-14(15)20(27)25-17)19-9-16(12-7-13(21)8-12)23-18(24-19)11-28-2/h3-6,9,12-13H,7-8,10-11,21H2,1-2H3,(H,22,25,27)
InChIKeyBUJNPHTWYQBYJY-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.70
Rot. Bonds6

About 2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one

2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one (PubChem CID 136664824) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one
PubChem CID136664824
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one
SMILESCOCc1nc(C2CC(N)C2)cc(N(C)Cc2nc3ccccc3c(=O)[nH]2)n1
InChIInChI=1S/C20H24N6O2/c1-26(10-17-22-15-6-4-3-5-14(15)20(27)25-17)19-9-16(12-7-13(21)8-12)23-18(24-19)11-28-2/h3-6,9,12-13H,7-8,10-11,21H2,1-2H3,(H,22,25,27)
InChIKeyBUJNPHTWYQBYJY-UHFFFAOYSA-N
XLogP1.70
TPSA110.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride
CID 154902812
6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 91771660
6-(3-aminocyclobutyl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902611
6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902450
2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one
CID 137187410
2-[[1-adamantylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135799564
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(quinolin-5-ylmethyl)pyrimidine-2,4-diamine
CID 91778439
2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135756594
2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one
CID 135718756
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135890821
2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 162424449

Frequently Asked Questions

What is the IUPAC name of 2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one (CID 136664824) is 2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one is COCc1nc(C2CC(N)C2)cc(N(C)Cc2nc3ccccc3c(=O)[nH]2)n1.
What is the InChIKey of 2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one?
The InChIKey is BUJNPHTWYQBYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-26(10-17-22-15-6-4-3-5-14(15)20(27)25-17)19-9-16(12-7-13(21)8-12)23-18(24-19)11-28-2/h3-6,9,12-13H,7-8,10-11,21H2,1-2H3,(H,22,25,27).
What are the key properties of 2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one?
2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one has a molecular weight of 380.45 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136664824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).