2-N-(3H-benzimidazol-5-yl)-5-N-(2,4,6-trimethylphenyl)pyrimidine-2,5-diamine

C20H20N6 — CID 10269034

IUPAC2-N-(3H-benzimidazol-5-yl)-5-N-(2,4,6-trimethylphenyl)pyrimidine-2,5-diamine
SMILESCc1cc(C)c(Nc2cnc(Nc3ccc4nc[nH]c4c3)nc2)c(C)c1
InChIInChI=1S/C20H20N6/c1-12-6-13(2)19(14(3)7-12)25-16-9-21-20(22-10-16)26-15-4-5-17-18(8-15)24-11-23-17/h4-11,25H,1-3H3,(H,23,24)(H,21,22,26)
InChIKeySLTKDSJPHYOVOA-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.77
Rot. Bonds4

About 2-N-(3H-benzimidazol-5-yl)-5-N-(2,4,6-trimethylphenyl)pyrimidine-2,5-diamine

2-N-(3H-benzimidazol-5-yl)-5-N-(2,4,6-trimethylphenyl)pyrimidine-2,5-diamine (PubChem CID 10269034) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-N-(3H-benzimidazol-5-yl)-5-N-(2,4,6-trimethylphenyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3H-benzimidazol-5-yl)-5-N-(2,4,6-trimethylphenyl)pyrimidine-2,5-diamine
PubChem CID10269034
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name2-N-(3H-benzimidazol-5-yl)-5-N-(2,4,6-trimethylphenyl)pyrimidine-2,5-diamine
SMILESCc1cc(C)c(Nc2cnc(Nc3ccc4nc[nH]c4c3)nc2)c(C)c1
InChIInChI=1S/C20H20N6/c1-12-6-13(2)19(14(3)7-12)25-16-9-21-20(22-10-16)26-15-4-5-17-18(8-15)24-11-23-17/h4-11,25H,1-3H3,(H,23,24)(H,21,22,26)
InChIKeySLTKDSJPHYOVOA-UHFFFAOYSA-N
XLogP4.77
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3H-benzimidazol-5-yl)-5-chloro-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 164610376
4-N-(3H-benzimidazol-5-yl)-6-N-methylpyrimidine-4,6-diamine
CID 115265409
N-[4-(2-methylphenoxy)phenyl]-3H-benzimidazol-5-amine
CID 166899759
1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea
CID 108886016
2-N-(3H-benzimidazol-5-yl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine
CID 86210860
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734
1-[4-[[4-(3H-benzimidazol-5-ylamino)-5-bromopyrimidin-2-yl]amino]phenyl]-3-(methyl-methylidene-oxo-λ6-sulfanyl)urea
CID 91466406
8-(3H-benzimidazol-5-yloxy)-N-(1H-indazol-6-yl)quinazolin-2-amine
CID 78210195
4-[[4-(3H-benzimidazol-5-ylamino)-5-bromopyrimidin-2-yl]amino]-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide
CID 91381662
1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea
CID 108886074
N-(2-methylpropyl)-3H-benzimidazol-5-amine
CID 67445159
4-N-(3-aminopropyl)-2-N-(3H-benzimidazol-5-yl)-5-cyclopropylpyrimidine-2,4-diamine
CID 68622343

Frequently Asked Questions

What is the IUPAC name of 2-N-(3H-benzimidazol-5-yl)-5-N-(2,4,6-trimethylphenyl)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-(3H-benzimidazol-5-yl)-5-N-(2,4,6-trimethylphenyl)pyrimidine-2,5-diamine (CID 10269034) is 2-N-(3H-benzimidazol-5-yl)-5-N-(2,4,6-trimethylphenyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(3H-benzimidazol-5-yl)-5-N-(2,4,6-trimethylphenyl)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(3H-benzimidazol-5-yl)-5-N-(2,4,6-trimethylphenyl)pyrimidine-2,5-diamine is Cc1cc(C)c(Nc2cnc(Nc3ccc4nc[nH]c4c3)nc2)c(C)c1.
What is the InChIKey of 2-N-(3H-benzimidazol-5-yl)-5-N-(2,4,6-trimethylphenyl)pyrimidine-2,5-diamine?
The InChIKey is SLTKDSJPHYOVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-12-6-13(2)19(14(3)7-12)25-16-9-21-20(22-10-16)26-15-4-5-17-18(8-15)24-11-23-17/h4-11,25H,1-3H3,(H,23,24)(H,21,22,26).
What are the key properties of 2-N-(3H-benzimidazol-5-yl)-5-N-(2,4,6-trimethylphenyl)pyrimidine-2,5-diamine?
2-N-(3H-benzimidazol-5-yl)-5-N-(2,4,6-trimethylphenyl)pyrimidine-2,5-diamine has a molecular weight of 344.42 g/mol, XLogP of 4.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3H-benzimidazol-5-yl)-5-N-(2,4,6-trimethylphenyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 10269034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).