4-N-(3H-benzimidazol-5-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine

C14H16N6 — CID 115265541

IUPAC4-N-(3H-benzimidazol-5-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2ccc3nc[nH]c3c2)ncn1
InChIInChI=1S/C14H16N6/c1-15-13-6-14(19-9-18-13)20(2)7-10-3-4-11-12(5-10)17-8-16-11/h3-6,8-9H,7H2,1-2H3,(H,16,17)(H,15,18,19)
InChIKeyMSEPGWHJYBYENM-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.03
Rot. Bonds4

About 4-N-(3H-benzimidazol-5-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine

4-N-(3H-benzimidazol-5-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine (PubChem CID 115265541) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-N-(3H-benzimidazol-5-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3H-benzimidazol-5-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
PubChem CID115265541
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name4-N-(3H-benzimidazol-5-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2ccc3nc[nH]c3c2)ncn1
InChIInChI=1S/C14H16N6/c1-15-13-6-14(19-9-18-13)20(2)7-10-3-4-11-12(5-10)17-8-16-11/h3-6,8-9H,7H2,1-2H3,(H,16,17)(H,15,18,19)
InChIKeyMSEPGWHJYBYENM-UHFFFAOYSA-N
XLogP2.03
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3H-benzimidazol-5-ylmethyl)-5-bromo-N,4-dimethylpyridin-2-amine
CID 115147182
3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoic acid
CID 115218303
4-N-(3H-benzimidazol-5-yl)-6-N-methylpyrimidine-4,6-diamine
CID 115265409
N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine
CID 117044066
methyl 3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoate
CID 115232458
N'-(3H-benzimidazol-5-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201335
3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanenitrile
CID 115231013
4-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-1-ol
CID 115217708
N-(3H-benzimidazol-5-ylmethyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 115165772
1-N-(3H-benzimidazol-5-ylmethyl)-1-N,4-dimethylbenzene-1,2-diamine
CID 115125097
4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265529
N'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine
CID 103102145

Frequently Asked Questions

What is the IUPAC name of 4-N-(3H-benzimidazol-5-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3H-benzimidazol-5-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine (CID 115265541) is 4-N-(3H-benzimidazol-5-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3H-benzimidazol-5-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3H-benzimidazol-5-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine is CNc1cc(N(C)Cc2ccc3nc[nH]c3c2)ncn1.
What is the InChIKey of 4-N-(3H-benzimidazol-5-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is MSEPGWHJYBYENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-15-13-6-14(19-9-18-13)20(2)7-10-3-4-11-12(5-10)17-8-16-11/h3-6,8-9H,7H2,1-2H3,(H,16,17)(H,15,18,19).
What are the key properties of 4-N-(3H-benzimidazol-5-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
4-N-(3H-benzimidazol-5-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 268.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3H-benzimidazol-5-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 115265541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).