5-(4-methoxyphenyl)sulfanylpyrimidine-2,4-diamine

C11H12N4OS — CID 23423598

IUPAC5-(4-methoxyphenyl)sulfanylpyrimidine-2,4-diamine
SMILESCOc1ccc(Sc2cnc(N)nc2N)cc1
InChIInChI=1S/C11H12N4OS/c1-16-7-2-4-8(5-3-7)17-9-6-14-11(13)15-10(9)12/h2-6H,1H3,(H4,12,13,14,15)
InChIKeyGOEHJJYZAVZQHL-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.80
Rot. Bonds3

About 5-(4-methoxyphenyl)sulfanylpyrimidine-2,4-diamine

5-(4-methoxyphenyl)sulfanylpyrimidine-2,4-diamine (PubChem CID 23423598) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)sulfanylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)sulfanylpyrimidine-2,4-diamine
PubChem CID23423598
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name5-(4-methoxyphenyl)sulfanylpyrimidine-2,4-diamine
SMILESCOc1ccc(Sc2cnc(N)nc2N)cc1
InChIInChI=1S/C11H12N4OS/c1-16-7-2-4-8(5-3-7)17-9-6-14-11(13)15-10(9)12/h2-6H,1H3,(H4,12,13,14,15)
InChIKeyGOEHJJYZAVZQHL-UHFFFAOYSA-N
XLogP1.80
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 669141
5-methoxy-4-[(4-methoxyphenyl)sulfanyl]-N,N-dimethyl-2-pyrimidinamine
CID 1479127
5-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyrimidine
CID 155519258
2-[(3-Phenoxypropyl)sulfanyl]pyrimidin-4-amine
CID 308586
5-[(4-methoxyphenyl)sulfonyl]-N~2~,N~2~-dipropylpyrimidine-2,4-diamine
CID 53490732
5-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyrimidine
CID 155520452
5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyrimidine
CID 155525419
5-(4-Bromo-3,5-dimethoxyphenyl)sulfanylpyrimidine-2,4-diamine
CID 156009693
2-(4-Methoxyphenyl)sulfanylpyrimidine
CID 472998
2-Phenoxy-4-pyrimidinamine
CID 54343376
2-(3-Methoxyphenyl)sulfanylpyrimidine
CID 472992
2-(3,4-Dimethoxyphenyl)sulfanylpyrimidine
CID 473000

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)sulfanylpyrimidine-2,4-diamine?
The IUPAC name of 5-(4-methoxyphenyl)sulfanylpyrimidine-2,4-diamine (CID 23423598) is 5-(4-methoxyphenyl)sulfanylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-methoxyphenyl)sulfanylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-methoxyphenyl)sulfanylpyrimidine-2,4-diamine is COc1ccc(Sc2cnc(N)nc2N)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)sulfanylpyrimidine-2,4-diamine?
The InChIKey is GOEHJJYZAVZQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-16-7-2-4-8(5-3-7)17-9-6-14-11(13)15-10(9)12/h2-6H,1H3,(H4,12,13,14,15).
What are the key properties of 5-(4-methoxyphenyl)sulfanylpyrimidine-2,4-diamine?
5-(4-methoxyphenyl)sulfanylpyrimidine-2,4-diamine has a molecular weight of 248.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)sulfanylpyrimidine-2,4-diamine is sourced from PubChem (CID 23423598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).