2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine

C13H19N5S2 — CID 80845107

IUPAC2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)c2nccs2)nc(SC)n1
InChIInChI=1S/C13H19N5S2/c1-4-5-14-10-8-11(18-13(17-10)19-3)16-9(2)12-15-6-7-20-12/h6-9H,4-5H2,1-3H3,(H2,14,16,17,18)
InChIKeyGJEBZTRPKDSNBQ-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.65
Rot. Bonds7

About 2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine

2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80845107) has the molecular formula C13H19N5S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is 2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID80845107
Molecular FormulaC13H19N5S2
Molecular Weight309.46 g/mol
Exact Mass309.11
IUPAC Name2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)c2nccs2)nc(SC)n1
InChIInChI=1S/C13H19N5S2/c1-4-5-14-10-8-11(18-13(17-10)19-3)16-9(2)12-15-6-7-20-12/h6-9H,4-5H2,1-3H3,(H2,14,16,17,18)
InChIKeyGJEBZTRPKDSNBQ-UHFFFAOYSA-N
XLogP3.65
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-[1-(furan-2-yl)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80781855
2-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80949949
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80780195
4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852755
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138292
6-hydrazinyl-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 80917620
5-propan-2-yl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80825581
2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80828387
4-N-(1-cyclopropylbutan-2-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80835871

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine (CID 80845107) is 2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine is CCCNc1cc(NC(C)c2nccs2)nc(SC)n1.
What is the InChIKey of 2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is GJEBZTRPKDSNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S2/c1-4-5-14-10-8-11(18-13(17-10)19-3)16-9(2)12-15-6-7-20-12/h6-9H,4-5H2,1-3H3,(H2,14,16,17,18).
What are the key properties of 2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 309.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80845107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).