5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine

C11H10N6 — CID 102284104

IUPAC5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
SMILESNc1ncc(-c2nc3ccccc3[nH]2)c(N)n1
InChIInChI=1S/C11H10N6/c12-9-6(5-14-11(13)17-9)10-15-7-3-1-2-4-8(7)16-10/h1-5H,(H,15,16)(H4,12,13,14,17)
InChIKeyBHQKIZFAYACFNY-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.18
Rot. Bonds1

About 5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine

5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine (PubChem CID 102284104) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
PubChem CID102284104
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
SMILESNc1ncc(-c2nc3ccccc3[nH]2)c(N)n1
InChIInChI=1S/C11H10N6/c12-9-6(5-14-11(13)17-9)10-15-7-3-1-2-4-8(7)16-10/h1-5H,(H,15,16)(H4,12,13,14,17)
InChIKeyBHQKIZFAYACFNY-UHFFFAOYSA-N
XLogP1.18
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(1H-benzimidazol-2-yl)-1,8-naphthyridin-2-amine
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3-(1H-benzimidazol-2-yl)-6-fluoroquinolin-4-amine
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5-amino-2-(1H-benzimidazol-2-yl)phenol
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copper bis(2-(1H-benzimidazol-2-yl)phenolate)
CID 134105250
N-[4-amino-5-(1H-benzimidazol-2-yl)pyrimidin-2-yl]-4-methylbenzenesulfonamide
CID 139233189
2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole
CID 58037969
6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline
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CID 121235374
CID 121235374
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Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine (CID 102284104) is 5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine is Nc1ncc(-c2nc3ccccc3[nH]2)c(N)n1.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine?
The InChIKey is BHQKIZFAYACFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c12-9-6(5-14-11(13)17-9)10-15-7-3-1-2-4-8(7)16-10/h1-5H,(H,15,16)(H4,12,13,14,17).
What are the key properties of 5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine?
5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine has a molecular weight of 226.24 g/mol, XLogP of 1.18, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 102284104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).