2-propan-2-yl-6-N-propyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine

C16H24N4S — CID 80961771

IUPAC2-propan-2-yl-6-N-propyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCc2ccsc2)nc(C(C)C)n1
InChIInChI=1S/C16H24N4S/c1-4-7-17-14-10-15(20-16(19-14)12(2)3)18-8-5-13-6-9-21-11-13/h6,9-12H,4-5,7-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyVWUWGTCLHIZZII-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.14
Rot. Bonds8

About 2-propan-2-yl-6-N-propyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine

2-propan-2-yl-6-N-propyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80961771) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-propan-2-yl-6-N-propyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-propan-2-yl-6-N-propyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
PubChem CID80961771
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-propan-2-yl-6-N-propyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCc2ccsc2)nc(C(C)C)n1
InChIInChI=1S/C16H24N4S/c1-4-7-17-14-10-15(20-16(19-14)12(2)3)18-8-5-13-6-9-21-11-13/h6,9-12H,4-5,7-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyVWUWGTCLHIZZII-UHFFFAOYSA-N
XLogP4.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80935379
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
6-methyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 60965790
6-N-ethyl-4-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771223
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
6-bromo-N-(2-thiophen-3-ylethyl)pyridin-2-amine
CID 63962803
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
4-N-(2,2-dimethylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 103466665
3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80966847
4-N-(2-methylsulfanylethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80960222
2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80955543
2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80960142

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-N-propyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-propan-2-yl-6-N-propyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine (CID 80961771) is 2-propan-2-yl-6-N-propyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-propan-2-yl-6-N-propyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-propan-2-yl-6-N-propyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine is CCCNc1cc(NCCc2ccsc2)nc(C(C)C)n1.
What is the InChIKey of 2-propan-2-yl-6-N-propyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is VWUWGTCLHIZZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-4-7-17-14-10-15(20-16(19-14)12(2)3)18-8-5-13-6-9-21-11-13/h6,9-12H,4-5,7-8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-propan-2-yl-6-N-propyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
2-propan-2-yl-6-N-propyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 304.46 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-N-propyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80961771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).