6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride

C17H22Cl2N6 — CID 154902450

IUPAC6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride
SMILESCN(Cc1nc2ccccc2[nH]1)c1cc(C2CC(N)C2)ncn1.Cl.Cl
InChIInChI=1S/C17H20N6.2ClH/c1-23(9-16-21-13-4-2-3-5-14(13)22-16)17-8-15(19-10-20-17)11-6-12(18)7-11;;/h2-5,8,10-12H,6-7,9,18H2,1H3,(H,21,22);2*1H
InChIKeyKENXJLPQXFJUBR-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.04
Rot. Bonds4

About 6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride

6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride (PubChem CID 154902450) has the molecular formula C17H22Cl2N6 and a molecular weight of 381.31 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride
PubChem CID154902450
Molecular FormulaC17H22Cl2N6
Molecular Weight381.31 g/mol
Exact Mass380.13
IUPAC Name6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride
SMILESCN(Cc1nc2ccccc2[nH]1)c1cc(C2CC(N)C2)ncn1.Cl.Cl
InChIInChI=1S/C17H20N6.2ClH/c1-23(9-16-21-13-4-2-3-5-14(13)22-16)17-8-15(19-10-20-17)11-6-12(18)7-11;;/h2-5,8,10-12H,6-7,9,18H2,1H3,(H,21,22);2*1H
InChIKeyKENXJLPQXFJUBR-UHFFFAOYSA-N
XLogP3.04
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-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-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 91771660
6-(3-aminocyclobutyl)-N-methyl-N-(quinolin-3-ylmethyl)pyrimidin-4-amine
CID 91791964
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
6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902558
2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride
CID 154902812
2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one
CID 136664824
4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine
CID 79121832
6-(3-aminocyclobutyl)-N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-N-methylpyrimidin-4-amine
CID 133268536
3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91775340
3-[2-amino-6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91771582
6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 91792506

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride (CID 154902450) is 6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride is CN(Cc1nc2ccccc2[nH]1)c1cc(C2CC(N)C2)ncn1.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride?
The InChIKey is KENXJLPQXFJUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6.2ClH/c1-23(9-16-21-13-4-2-3-5-14(13)22-16)17-8-15(19-10-20-17)11-6-12(18)7-11;;/h2-5,8,10-12H,6-7,9,18H2,1H3,(H,21,22);2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride?
6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride has a molecular weight of 381.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 154902450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).