2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine

C23H24N8 — CID 167768772

IUPAC2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(NCCc2nc3ccccc3[nH]2)nc1NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C23H24N8/c1-15-14-26-23(25-13-11-21-29-18-8-4-5-9-19(18)30-21)31-22(15)24-12-10-20-27-16-6-2-3-7-17(16)28-20/h2-9,14H,10-13H2,1H3,(H,27,28)(H,29,30)(H2,24,25,26,31)
InChIKeyVQFPQXHYVPIFPD-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.85
Rot. Bonds8

About 2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine

2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine (PubChem CID 167768772) has the molecular formula C23H24N8 and a molecular weight of 412.50 g/mol. Its IUPAC name is 2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine
PubChem CID167768772
Molecular FormulaC23H24N8
Molecular Weight412.50 g/mol
Exact Mass412.21
IUPAC Name2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(NCCc2nc3ccccc3[nH]2)nc1NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C23H24N8/c1-15-14-26-23(25-13-11-21-29-18-8-4-5-9-19(18)30-21)31-22(15)24-12-10-20-27-16-6-2-3-7-17(16)28-20/h2-9,14H,10-13H2,1H3,(H,27,28)(H,29,30)(H2,24,25,26,31)
InChIKeyVQFPQXHYVPIFPD-UHFFFAOYSA-N
XLogP3.85
TPSA107.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1H-benzimidazol-2-ylmethyl)-2-N-isoquinolin-1-yl-5-methylpyrimidine-2,4-diamine
CID 117090195
4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4-diamine
CID 117089528
4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-pyrimidin-4-ylpyrimidine-2,4-diamine
CID 117094429
N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82336831
4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine
CID 80869687
2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 80944185
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110711924
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110711922
N-[2-(1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336874
2-[2-[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethyl]-3H-quinazolin-4-one
CID 135915486
2-(1H-benzimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 66527309
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine
CID 134713026

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine (CID 167768772) is 2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine is Cc1cnc(NCCc2nc3ccccc3[nH]2)nc1NCCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine?
The InChIKey is VQFPQXHYVPIFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8/c1-15-14-26-23(25-13-11-21-29-18-8-4-5-9-19(18)30-21)31-22(15)24-12-10-20-27-16-6-2-3-7-17(16)28-20/h2-9,14H,10-13H2,1H3,(H,27,28)(H,29,30)(H2,24,25,26,31).
What are the key properties of 2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine?
2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine has a molecular weight of 412.50 g/mol, XLogP of 3.85, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 167768772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).