4-N-benzhydryl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine

C23H23N5S — CID 19150253

IUPAC4-N-benzhydryl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCCc2cccs2)ncnc1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23N5S/c24-20-22(25-14-13-19-12-7-15-29-19)26-16-27-23(20)28-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,15-16,21H,13-14,24H2,(H2,25,26,27,28)
InChIKeyHYMYKQCMZSMYSG-UHFFFAOYSA-N
MW401.54 g/mol
LogP4.98
Rot. Bonds8

About 4-N-benzhydryl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine

4-N-benzhydryl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine (PubChem CID 19150253) has the molecular formula C23H23N5S and a molecular weight of 401.54 g/mol. Its IUPAC name is 4-N-benzhydryl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-benzhydryl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
PubChem CID19150253
Molecular FormulaC23H23N5S
Molecular Weight401.54 g/mol
Exact Mass401.17
IUPAC Name4-N-benzhydryl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCCc2cccs2)ncnc1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23N5S/c24-20-22(25-14-13-19-12-7-15-29-19)26-16-27-23(20)28-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,15-16,21H,13-14,24H2,(H2,25,26,27,28)
InChIKeyHYMYKQCMZSMYSG-UHFFFAOYSA-N
XLogP4.98
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 23477636
4-N-tert-butyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22540400
4-N-(2-methoxyethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19150523
6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19152546
4-N-methyl-4-N-phenyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19144572
4-N-(2-fluorophenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19145262
4-N-cyclopentyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19153971
4-N-(5-chloro-2-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19147182
4-N-(4-ethylphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22544441
4-N-(2-morpholin-4-ylethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19154001
4-N-(3-chloro-2-methylphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22545506
4-N-(2-ethoxyphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19154246

Frequently Asked Questions

What is the IUPAC name of 4-N-benzhydryl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-benzhydryl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine (CID 19150253) is 4-N-benzhydryl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-benzhydryl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-benzhydryl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine is Nc1c(NCCc2cccs2)ncnc1NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-N-benzhydryl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine?
The InChIKey is HYMYKQCMZSMYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5S/c24-20-22(25-14-13-19-12-7-15-29-19)26-16-27-23(20)28-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,15-16,21H,13-14,24H2,(H2,25,26,27,28).
What are the key properties of 4-N-benzhydryl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine?
4-N-benzhydryl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine has a molecular weight of 401.54 g/mol, XLogP of 4.98, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzhydryl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19150253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).