4-ethylsulfanyl-N,6-dimethylpyrimidin-2-amine

C8H13N3S — CID 80888720

IUPAC4-ethylsulfanyl-N,6-dimethylpyrimidin-2-amine
SMILESCCSc1cc(C)nc(NC)n1
InChIInChI=1S/C8H13N3S/c1-4-12-7-5-6(2)10-8(9-3)11-7/h5H,4H2,1-3H3,(H,9,10,11)
InChIKeyCXWJAGWVNIUWCQ-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.94
Rot. Bonds3

About 4-ethylsulfanyl-N,6-dimethylpyrimidin-2-amine

4-ethylsulfanyl-N,6-dimethylpyrimidin-2-amine (PubChem CID 80888720) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 4-ethylsulfanyl-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-ethylsulfanyl-N,6-dimethylpyrimidin-2-amine
PubChem CID80888720
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name4-ethylsulfanyl-N,6-dimethylpyrimidin-2-amine
SMILESCCSc1cc(C)nc(NC)n1
InChIInChI=1S/C8H13N3S/c1-4-12-7-5-6(2)10-8(9-3)11-7/h5H,4H2,1-3H3,(H,9,10,11)
InChIKeyCXWJAGWVNIUWCQ-UHFFFAOYSA-N
XLogP1.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-6-methylsulfanylpyrimidin-2-amine
CID 911699
4-(3-methoxypropylsulfanyl)-N,6-dimethylpyrimidin-2-amine
CID 80889975
4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
CID 70472300
N,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine
CID 80884550
N,4-dimethyl-6-pyridin-2-ylsulfanylpyrimidin-2-amine
CID 80883368
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,6-dimethylpyrimidin-2-amine
CID 80889961
N,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
CID 80891727
6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80962306
4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 103466603
4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine
CID 80884832
N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine
CID 80893163
4-(1,3-benzoxazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine
CID 80893922

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-ethylsulfanyl-N,6-dimethylpyrimidin-2-amine (CID 80888720) is 4-ethylsulfanyl-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-ethylsulfanyl-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-ethylsulfanyl-N,6-dimethylpyrimidin-2-amine is CCSc1cc(C)nc(NC)n1.
What is the InChIKey of 4-ethylsulfanyl-N,6-dimethylpyrimidin-2-amine?
The InChIKey is CXWJAGWVNIUWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-4-12-7-5-6(2)10-8(9-3)11-7/h5H,4H2,1-3H3,(H,9,10,11).
What are the key properties of 4-ethylsulfanyl-N,6-dimethylpyrimidin-2-amine?
4-ethylsulfanyl-N,6-dimethylpyrimidin-2-amine has a molecular weight of 183.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80888720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).