2-phenyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine

C16H16N4S — CID 115915460

IUPAC2-phenyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
SMILESNc1cc(NCCc2ccsc2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H16N4S/c17-14-10-15(18-8-6-12-7-9-21-11-12)20-16(19-14)13-4-2-1-3-5-13/h1-5,7,9-11H,6,8H2,(H3,17,18,19,20)
InChIKeyMACSIKBSRKQZEH-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.44
Rot. Bonds5

About 2-phenyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine

2-phenyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine (PubChem CID 115915460) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-phenyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-phenyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
PubChem CID115915460
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name2-phenyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
SMILESNc1cc(NCCc2ccsc2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H16N4S/c17-14-10-15(18-8-6-12-7-9-21-11-12)20-16(19-14)13-4-2-1-3-5-13/h1-5,7,9-11H,6,8H2,(H3,17,18,19,20)
InChIKeyMACSIKBSRKQZEH-UHFFFAOYSA-N
XLogP3.44
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 112559773
5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163239
3-[2-[(6-amino-2-phenylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311691
6-bromo-N-(2-thiophen-3-ylethyl)pyridin-2-amine
CID 63962803
6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 50957101
6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80935379
N-benzhydryl-2-thiophen-3-ylethanamine
CID 61474886
4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 106332100
6-hydrazinyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 80897852
3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179314
4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915230
4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879209

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-phenyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine (CID 115915460) is 2-phenyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-phenyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-phenyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine is Nc1cc(NCCc2ccsc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is MACSIKBSRKQZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c17-14-10-15(18-8-6-12-7-9-21-11-12)20-16(19-14)13-4-2-1-3-5-13/h1-5,7,9-11H,6,8H2,(H3,17,18,19,20).
What are the key properties of 2-phenyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
2-phenyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 296.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115915460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).