4-N-(1H-benzimidazol-2-ylmethyl)-6-methoxy-2-N-pyrimidin-2-yl-1,3,5-triazine-2,4-diamine

C16H15N9O — CID 117092679

IUPAC4-N-(1H-benzimidazol-2-ylmethyl)-6-methoxy-2-N-pyrimidin-2-yl-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(NCc2nc3ccccc3[nH]2)nc(Nc2ncccn2)n1
InChIInChI=1S/C16H15N9O/c1-26-16-24-14(23-15(25-16)22-13-17-7-4-8-18-13)19-9-12-20-10-5-2-3-6-11(10)21-12/h2-8H,9H2,1H3,(H,20,21)(H2,17,18,19,22,23,24,25)
InChIKeyMGDGBZSILLSUKD-UHFFFAOYSA-N
MW349.36 g/mol
LogP1.90
Rot. Bonds6

About 4-N-(1H-benzimidazol-2-ylmethyl)-6-methoxy-2-N-pyrimidin-2-yl-1,3,5-triazine-2,4-diamine

4-N-(1H-benzimidazol-2-ylmethyl)-6-methoxy-2-N-pyrimidin-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 117092679) has the molecular formula C16H15N9O and a molecular weight of 349.36 g/mol. Its IUPAC name is 4-N-(1H-benzimidazol-2-ylmethyl)-6-methoxy-2-N-pyrimidin-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-benzimidazol-2-ylmethyl)-6-methoxy-2-N-pyrimidin-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID117092679
Molecular FormulaC16H15N9O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name4-N-(1H-benzimidazol-2-ylmethyl)-6-methoxy-2-N-pyrimidin-2-yl-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(NCc2nc3ccccc3[nH]2)nc(Nc2ncccn2)n1
InChIInChI=1S/C16H15N9O/c1-26-16-24-14(23-15(25-16)22-13-17-7-4-8-18-13)19-9-12-20-10-5-2-3-6-11(10)21-12/h2-8H,9H2,1H3,(H,20,21)(H2,17,18,19,22,23,24,25)
InChIKeyMGDGBZSILLSUKD-UHFFFAOYSA-N
XLogP1.90
TPSA126.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-N-(1H-benzimidazol-2-ylmethyl)-6-methoxy-2-N-pyrimidin-2-yl-1,3,5-triazine-2,4-diamine 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

N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine
CID 150607804
4-[4-(1H-benzimidazol-2-ylmethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-cyclopropylbenzamide
CID 117082126
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
N-(1H-benzimidazol-2-ylmethyl)-2-(4-methoxyphenyl)-7H-purin-6-amine
CID 117079410
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-phenyl-7H-purine-2,6-diamine
CID 117092742
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634
2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine
CID 103389827
N-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine
CID 83961851
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-isoquinolin-1-yl-7H-purine-2,6-diamine
CID 117085067
4-N-(1H-benzimidazol-2-ylmethyl)-2-N-isoquinolin-1-yl-5-methylpyrimidine-2,4-diamine
CID 117090195
6-N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-N-pyridin-2-ylpurine-2,6-diamine
CID 117093366

Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-benzimidazol-2-ylmethyl)-6-methoxy-2-N-pyrimidin-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(1H-benzimidazol-2-ylmethyl)-6-methoxy-2-N-pyrimidin-2-yl-1,3,5-triazine-2,4-diamine (CID 117092679) is 4-N-(1H-benzimidazol-2-ylmethyl)-6-methoxy-2-N-pyrimidin-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(1H-benzimidazol-2-ylmethyl)-6-methoxy-2-N-pyrimidin-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(1H-benzimidazol-2-ylmethyl)-6-methoxy-2-N-pyrimidin-2-yl-1,3,5-triazine-2,4-diamine is COc1nc(NCc2nc3ccccc3[nH]2)nc(Nc2ncccn2)n1.
What is the InChIKey of 4-N-(1H-benzimidazol-2-ylmethyl)-6-methoxy-2-N-pyrimidin-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is MGDGBZSILLSUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N9O/c1-26-16-24-14(23-15(25-16)22-13-17-7-4-8-18-13)19-9-12-20-10-5-2-3-6-11(10)21-12/h2-8H,9H2,1H3,(H,20,21)(H2,17,18,19,22,23,24,25).
What are the key properties of 4-N-(1H-benzimidazol-2-ylmethyl)-6-methoxy-2-N-pyrimidin-2-yl-1,3,5-triazine-2,4-diamine?
4-N-(1H-benzimidazol-2-ylmethyl)-6-methoxy-2-N-pyrimidin-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 349.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-benzimidazol-2-ylmethyl)-6-methoxy-2-N-pyrimidin-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 117092679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).