2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine

C12H16N4S3 — CID 80893301

IUPAC2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2nc(C)cs2)nc(SC)n1
InChIInChI=1S/C12H16N4S3/c1-4-5-13-9-6-10(16-11(15-9)17-3)19-12-14-8(2)7-18-12/h6-7H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyIDCMJYXVNVNBDP-UHFFFAOYSA-N
MW312.49 g/mol
LogP3.94
Rot. Bonds6

About 2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine

2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine (PubChem CID 80893301) has the molecular formula C12H16N4S3 and a molecular weight of 312.49 g/mol. Its IUPAC name is 2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
PubChem CID80893301
Molecular FormulaC12H16N4S3
Molecular Weight312.49 g/mol
Exact Mass312.05
IUPAC Name2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2nc(C)cs2)nc(SC)n1
InChIInChI=1S/C12H16N4S3/c1-4-5-13-9-6-10(16-11(15-9)17-3)19-12-14-8(2)7-18-12/h6-7H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyIDCMJYXVNVNBDP-UHFFFAOYSA-N
XLogP3.94
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine (CID 80893301) is 2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine is CCCNc1cc(Sc2nc(C)cs2)nc(SC)n1.
What is the InChIKey of 2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The InChIKey is IDCMJYXVNVNBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S3/c1-4-5-13-9-6-10(16-11(15-9)17-3)19-12-14-8(2)7-18-12/h6-7H,4-5H2,1-3H3,(H,13,15,16).
What are the key properties of 2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine?
2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine has a molecular weight of 312.49 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80893301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).