N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine

C14H19N5S — CID 80890961

IUPACN-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine
SMILESCCCNc1cncc(Sc2nc(C)c(C)c(C)n2)n1
InChIInChI=1S/C14H19N5S/c1-5-6-16-12-7-15-8-13(19-12)20-14-17-10(3)9(2)11(4)18-14/h7-8H,5-6H2,1-4H3,(H,16,19)
InChIKeyRWANMCXBSRQVKO-UHFFFAOYSA-N
MW289.41 g/mol
LogP3.16
Rot. Bonds5

About N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine

N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine (PubChem CID 80890961) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine.

Molecular Properties

Compound NameN-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine
PubChem CID80890961
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC NameN-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine
SMILESCCCNc1cncc(Sc2nc(C)c(C)c(C)n2)n1
InChIInChI=1S/C14H19N5S/c1-5-6-16-12-7-15-8-13(19-12)20-14-17-10(3)9(2)11(4)18-14/h7-8H,5-6H2,1-4H3,(H,16,19)
InChIKeyRWANMCXBSRQVKO-UHFFFAOYSA-N
XLogP3.16
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrazin-2-amine
CID 115384424
6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine
CID 80891650
3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
CID 80890920
6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine
CID 80890192
3-[6-(propylamino)pyrazin-2-yl]sulfanylbutan-1-ol
CID 80890486
2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
CID 80890913
6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine
CID 80890057
6-chloro-N-propylpyrazin-2-amine
CID 26370207
N-propyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine
CID 65041419
6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine
CID 80892831
2-[(6-methylsulfanylpyrazin-2-yl)amino]ethanol
CID 131159984
6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
CID 80785273

Frequently Asked Questions

What is the IUPAC name of N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine?
The IUPAC name of N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine (CID 80890961) is N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine.
What is the SMILES notation for N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine?
The canonical SMILES for N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine is CCCNc1cncc(Sc2nc(C)c(C)c(C)n2)n1.
What is the InChIKey of N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine?
The InChIKey is RWANMCXBSRQVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-5-6-16-12-7-15-8-13(19-12)20-14-17-10(3)9(2)11(4)18-14/h7-8H,5-6H2,1-4H3,(H,16,19).
What are the key properties of N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine?
N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine has a molecular weight of 289.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine is sourced from PubChem (CID 80890961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).