N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine

C13H15N3S — CID 80888102

IUPACN-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(Sc2ccccc2)nc(C)n1
InChIInChI=1S/C13H15N3S/c1-3-14-12-9-13(16-10(2)15-12)17-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,14,15,16)
InChIKeyAXYQDSHOUMTBGT-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.37
Rot. Bonds4

About N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine

N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine (PubChem CID 80888102) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine
PubChem CID80888102
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC NameN-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(Sc2ccccc2)nc(C)n1
InChIInChI=1S/C13H15N3S/c1-3-14-12-9-13(16-10(2)15-12)17-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,14,15,16)
InChIKeyAXYQDSHOUMTBGT-UHFFFAOYSA-N
XLogP3.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine
CID 80889647
N-ethyl-2-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine
CID 80888556
N-ethyl-6-phenylsulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720209
N-ethyl-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894982
N-ethyl-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80893372
6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80949865
N,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885675
6-(4-tert-butylphenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
CID 80893059
6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80892361
6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine
CID 80888395
6-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-2-methylpyrimidin-4-amine
CID 80894774
3-[6-(ethylamino)-2-methylpyrimidin-4-yl]sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107785263

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine (CID 80888102) is N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine is CCNc1cc(Sc2ccccc2)nc(C)n1.
What is the InChIKey of N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine?
The InChIKey is AXYQDSHOUMTBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-3-14-12-9-13(16-10(2)15-12)17-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine?
N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine has a molecular weight of 245.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80888102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).