N-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine

C17H23N3S — CID 80942803

IUPACN-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(Sc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C17H23N3S/c1-5-6-15-19-16(18-4)11-17(20-15)21-14-9-7-13(8-10-14)12(2)3/h7-12H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyFRJYRSADDOTNJT-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.75
Rot. Bonds6

About N-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine

N-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine (PubChem CID 80942803) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine
PubChem CID80942803
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(Sc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C17H23N3S/c1-5-6-15-19-16(18-4)11-17(20-15)21-14-9-7-13(8-10-14)12(2)3/h7-12H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyFRJYRSADDOTNJT-UHFFFAOYSA-N
XLogP4.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine
CID 80949638
N-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-amine
CID 107765749
6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80949865
6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine
CID 80942664
2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine
CID 80939312
6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine
CID 80946945
N-methyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80949864
2-ethyl-N-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine
CID 80939328
N-methyl-2-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80947049
4-methyl-3-[6-(methylamino)-2-propylpyrimidin-4-yl]sulfanyl-1H-1,2,4-triazol-5-one
CID 80946770
[2-propan-2-yl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80973046
N-ethyl-6-(4-propan-2-ylphenyl)sulfanylpyrazin-2-amine
CID 80885114

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine (CID 80942803) is N-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine is CCCc1nc(NC)cc(Sc2ccc(C(C)C)cc2)n1.
What is the InChIKey of N-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine?
The InChIKey is FRJYRSADDOTNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-5-6-15-19-16(18-4)11-17(20-15)21-14-9-7-13(8-10-14)12(2)3/h7-12H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of N-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine?
N-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine has a molecular weight of 301.46 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80942803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).