5-ethylsulfanyl-6-phenylpyrimidine-2,4-diamine

C12H14N4S — CID 12619924

IUPAC5-ethylsulfanyl-6-phenylpyrimidine-2,4-diamine
SMILESCCSc1c(N)nc(N)nc1-c1ccccc1
InChIInChI=1S/C12H14N4S/c1-2-17-10-9(8-6-4-3-5-7-8)15-12(14)16-11(10)13/h3-7H,2H2,1H3,(H4,13,14,15,16)
InChIKeyYFDKLFWBGRWQQL-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.42
Rot. Bonds3

About 5-ethylsulfanyl-6-phenylpyrimidine-2,4-diamine

5-ethylsulfanyl-6-phenylpyrimidine-2,4-diamine (PubChem CID 12619924) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 5-ethylsulfanyl-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-ethylsulfanyl-6-phenylpyrimidine-2,4-diamine
PubChem CID12619924
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name5-ethylsulfanyl-6-phenylpyrimidine-2,4-diamine
SMILESCCSc1c(N)nc(N)nc1-c1ccccc1
InChIInChI=1S/C12H14N4S/c1-2-17-10-9(8-6-4-3-5-7-8)15-12(14)16-11(10)13/h3-7H,2H2,1H3,(H4,13,14,15,16)
InChIKeyYFDKLFWBGRWQQL-UHFFFAOYSA-N
XLogP2.42
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenylquinazolin-2-amine;hydrochloride
CID 174298789
5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine
CID 12597618
CID 88687788
CID 88687788
2,4-diamino-6-phenylpyrimidine-5-sulfonamide
CID 69298696
2-amino-4-butylsulfanyl-6-phenylpyrimidine-5-carbonitrile
CID 18507672
2-ethylsulfanyl-5-methyl-4-phenyl-1,3-thiazole
CID 21435668
4-phenylpteridine-2,6,7-triamine
CID 119087986
5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 139449783
2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid
CID 123695690
4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine
CID 10689276
4-phenylpyrimidine-2,5-diamine
CID 89253384
5-(3-chloro-4-methoxyphenyl)-2-ethylsulfanyl-6-phenylpyrimidin-4-amine
CID 69344212

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 5-ethylsulfanyl-6-phenylpyrimidine-2,4-diamine (CID 12619924) is 5-ethylsulfanyl-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-ethylsulfanyl-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 5-ethylsulfanyl-6-phenylpyrimidine-2,4-diamine is CCSc1c(N)nc(N)nc1-c1ccccc1.
What is the InChIKey of 5-ethylsulfanyl-6-phenylpyrimidine-2,4-diamine?
The InChIKey is YFDKLFWBGRWQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-2-17-10-9(8-6-4-3-5-7-8)15-12(14)16-11(10)13/h3-7H,2H2,1H3,(H4,13,14,15,16).
What are the key properties of 5-ethylsulfanyl-6-phenylpyrimidine-2,4-diamine?
5-ethylsulfanyl-6-phenylpyrimidine-2,4-diamine has a molecular weight of 246.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 12619924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).