6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride

C20H25Cl2N5O — CID 154902558

IUPAC6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
SMILESCOc1ccc(CN(C)c2cc(C3CC(N)C3)ncn2)c2cccnc12.Cl.Cl
InChIInChI=1S/C20H23N5O.2ClH/c1-25(19-10-17(23-12-24-19)14-8-15(21)9-14)11-13-5-6-18(26-2)20-16(13)4-3-7-22-20;;/h3-7,10,12,14-15H,8-9,11,21H2,1-2H3;2*1H
InChIKeyGVVDGNHUMXXYMG-UHFFFAOYSA-N
MW422.36 g/mol
LogP3.72
Rot. Bonds5

About 6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride

6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride (PubChem CID 154902558) has the molecular formula C20H25Cl2N5O and a molecular weight of 422.36 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
PubChem CID154902558
Molecular FormulaC20H25Cl2N5O
Molecular Weight422.36 g/mol
Exact Mass421.14
IUPAC Name6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
SMILESCOc1ccc(CN(C)c2cc(C3CC(N)C3)ncn2)c2cccnc12.Cl.Cl
InChIInChI=1S/C20H23N5O.2ClH/c1-25(19-10-17(23-12-24-19)14-8-15(21)9-14)11-13-5-6-18(26-2)20-16(13)4-3-7-22-20;;/h3-7,10,12,14-15H,8-9,11,21H2,1-2H3;2*1H
InChIKeyGVVDGNHUMXXYMG-UHFFFAOYSA-N
XLogP3.72
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride 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

6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154903423
6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902032
3-[6-[methyl(quinolin-5-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91785441
6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902450
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(quinolin-5-ylmethyl)pyrimidine-2,4-diamine
CID 91778439
6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 91792506
6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902391
6-(3-aminocyclobutyl)-N-methyl-N-(quinolin-3-ylmethyl)pyrimidin-4-amine
CID 91791964
6-(3-aminocyclobutyl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902047
2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylethanamine
CID 91838572
6-(3-aminocyclobutyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-4-amine
CID 91771811
6-(3-aminocyclobutyl)-N-[(2,3-dimethoxyphenyl)methyl]pyrimidin-4-amine;dihydrochloride
CID 154901954

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride (CID 154902558) is 6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride is COc1ccc(CN(C)c2cc(C3CC(N)C3)ncn2)c2cccnc12.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride?
The InChIKey is GVVDGNHUMXXYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O.2ClH/c1-25(19-10-17(23-12-24-19)14-8-15(21)9-14)11-13-5-6-18(26-2)20-16(13)4-3-7-22-20;;/h3-7,10,12,14-15H,8-9,11,21H2,1-2H3;2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride?
6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride has a molecular weight of 422.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 154902558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).