6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine

C17H23N3S — CID 80942664

IUPAC6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2ccc(C)cc2)nc(CCC)n1
InChIInChI=1S/C17H23N3S/c1-4-6-15-19-16(18-11-5-2)12-17(20-15)21-14-9-7-13(3)8-10-14/h7-10,12H,4-6,11H2,1-3H3,(H,18,19,20)
InChIKeyOHIDRBNSYVSCDR-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.71
Rot. Bonds7

About 6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine

6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine (PubChem CID 80942664) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine
PubChem CID80942664
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2ccc(C)cc2)nc(CCC)n1
InChIInChI=1S/C17H23N3S/c1-4-6-15-19-16(18-11-5-2)12-17(20-15)21-14-9-7-13(3)8-10-14/h7-10,12H,4-6,11H2,1-3H3,(H,18,19,20)
InChIKeyOHIDRBNSYVSCDR-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80949865
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N,2-dipropylpyrimidin-4-amine
CID 106928672
6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine
CID 80885007
6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine
CID 80949638
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
N-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine
CID 80942803
6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine
CID 80947939
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63485762
N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine
CID 80947430
2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine
CID 80939308

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine?
The IUPAC name of 6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine (CID 80942664) is 6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine is CCCNc1cc(Sc2ccc(C)cc2)nc(CCC)n1.
What is the InChIKey of 6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine?
The InChIKey is OHIDRBNSYVSCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-4-6-15-19-16(18-11-5-2)12-17(20-15)21-14-9-7-13(3)8-10-14/h7-10,12H,4-6,11H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine?
6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine has a molecular weight of 301.46 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine is sourced from PubChem (CID 80942664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).