5-(4-methoxy-5-methyl-2-propan-2-ylphenyl)sulfanylpyrimidine-2,4-diamine

C15H20N4OS — CID 130435917

IUPAC5-(4-methoxy-5-methyl-2-propan-2-ylphenyl)sulfanylpyrimidine-2,4-diamine
SMILESCOc1cc(C(C)C)c(Sc2cnc(N)nc2N)cc1C
InChIInChI=1S/C15H20N4OS/c1-8(2)10-6-11(20-4)9(3)5-12(10)21-13-7-18-15(17)19-14(13)16/h5-8H,1-4H3,(H4,16,17,18,19)
InChIKeyRVCJAUNOKQMYDO-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.23
Rot. Bonds4

About 5-(4-methoxy-5-methyl-2-propan-2-ylphenyl)sulfanylpyrimidine-2,4-diamine

5-(4-methoxy-5-methyl-2-propan-2-ylphenyl)sulfanylpyrimidine-2,4-diamine (PubChem CID 130435917) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-(4-methoxy-5-methyl-2-propan-2-ylphenyl)sulfanylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-methoxy-5-methyl-2-propan-2-ylphenyl)sulfanylpyrimidine-2,4-diamine
PubChem CID130435917
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name5-(4-methoxy-5-methyl-2-propan-2-ylphenyl)sulfanylpyrimidine-2,4-diamine
SMILESCOc1cc(C(C)C)c(Sc2cnc(N)nc2N)cc1C
InChIInChI=1S/C15H20N4OS/c1-8(2)10-6-11(20-4)9(3)5-12(10)21-13-7-18-15(17)19-14(13)16/h5-8H,1-4H3,(H4,16,17,18,19)
InChIKeyRVCJAUNOKQMYDO-UHFFFAOYSA-N
XLogP3.23
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

bis(5-(4-methoxy-5-methyl-2-propan-2-ylphenyl)sulfanylpyrimidine-2,4-diamine);methylboronic acid
CID 158110725
5-(2,4-diaminopyrimidin-5-yl)sulfanyl-N-hydrazinylidene-2-methoxy-4-propan-2-ylbenzenecarboximidamide
CID 145370742
5-(5-iodo-4-methoxy-2-propan-2-ylphenyl)peroxypyrimidine-2,4-diamine
CID 87725645
4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride
CID 146675441
amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol
CID 163788911
5-N-[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrimidine-2,4,5-triamine
CID 130474374
5-(2,4-diaminopyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-sulfonyl chloride
CID 130474339
5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine
CID 149414681
5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 88966587
N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]thiohydroxylamine
CID 59598712
sodium;5-(2,4-diaminopyrimidin-5-yl)sulfanyl-2-methyl-4-propan-2-ylbenzoic acid;5-(2,4-diaminopyrimidin-5-yl)sulfanyl-2-methyl-4-propan-2-ylbenzonitrile;ethanol;hydroxide
CID 158709517
5-[[6-methoxy-2-propan-2-yl-5-(2-trimethylsilylethynyl)-3-pyridinyl]sulfanyl]pyrimidine-2,4-diamine
CID 140966186

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-5-methyl-2-propan-2-ylphenyl)sulfanylpyrimidine-2,4-diamine?
The IUPAC name of 5-(4-methoxy-5-methyl-2-propan-2-ylphenyl)sulfanylpyrimidine-2,4-diamine (CID 130435917) is 5-(4-methoxy-5-methyl-2-propan-2-ylphenyl)sulfanylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-methoxy-5-methyl-2-propan-2-ylphenyl)sulfanylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-methoxy-5-methyl-2-propan-2-ylphenyl)sulfanylpyrimidine-2,4-diamine is COc1cc(C(C)C)c(Sc2cnc(N)nc2N)cc1C.
What is the InChIKey of 5-(4-methoxy-5-methyl-2-propan-2-ylphenyl)sulfanylpyrimidine-2,4-diamine?
The InChIKey is RVCJAUNOKQMYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-8(2)10-6-11(20-4)9(3)5-12(10)21-13-7-18-15(17)19-14(13)16/h5-8H,1-4H3,(H4,16,17,18,19).
What are the key properties of 5-(4-methoxy-5-methyl-2-propan-2-ylphenyl)sulfanylpyrimidine-2,4-diamine?
5-(4-methoxy-5-methyl-2-propan-2-ylphenyl)sulfanylpyrimidine-2,4-diamine has a molecular weight of 304.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-5-methyl-2-propan-2-ylphenyl)sulfanylpyrimidine-2,4-diamine is sourced from PubChem (CID 130435917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).