6-phenyl-2-(propan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine

C17H23N3S — CID 65132208

IUPAC6-phenyl-2-(propan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccccc2)nc(CSC(C)C)n1
InChIInChI=1S/C17H23N3S/c1-4-10-18-16-11-15(14-8-6-5-7-9-14)19-17(20-16)12-21-13(2)3/h5-9,11,13H,4,10,12H2,1-3H3,(H,18,19,20)
InChIKeyULWHNRWGZIWTRA-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.61
Rot. Bonds7

About 6-phenyl-2-(propan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine

6-phenyl-2-(propan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine (PubChem CID 65132208) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 6-phenyl-2-(propan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-phenyl-2-(propan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine
PubChem CID65132208
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name6-phenyl-2-(propan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccccc2)nc(CSC(C)C)n1
InChIInChI=1S/C17H23N3S/c1-4-10-18-16-11-15(14-8-6-5-7-9-14)19-17(20-16)12-21-13(2)3/h5-9,11,13H,4,10,12H2,1-3H3,(H,18,19,20)
InChIKeyULWHNRWGZIWTRA-UHFFFAOYSA-N
XLogP4.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-phenyl-N,2-dipropylpyrimidin-4-amine
CID 55193281
N-ethyl-6-phenyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 65129120
2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932435
2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932437
6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769168
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
2-butyl-N-methyl-6-phenylpyrimidin-4-amine
CID 79412255
N-ethyl-5-iodo-6-phenyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 66305650
N-methyl-6-phenyl-2-propylpyrimidin-4-amine
CID 55045530
2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 80936844
2-(benzylsulfanylmethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 80654078
2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine
CID 116546086

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(propan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-phenyl-2-(propan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine (CID 65132208) is 6-phenyl-2-(propan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-phenyl-2-(propan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-phenyl-2-(propan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine is CCCNc1cc(-c2ccccc2)nc(CSC(C)C)n1.
What is the InChIKey of 6-phenyl-2-(propan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine?
The InChIKey is ULWHNRWGZIWTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-4-10-18-16-11-15(14-8-6-5-7-9-14)19-17(20-16)12-21-13(2)3/h5-9,11,13H,4,10,12H2,1-3H3,(H,18,19,20).
What are the key properties of 6-phenyl-2-(propan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine?
6-phenyl-2-(propan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine has a molecular weight of 301.46 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(propan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 65132208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).