4-N-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine

C19H20N4O2S — CID 19142877

IUPAC4-N-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
SMILESCOc1ccc(Nc2ncnc(Sc3ccc(C)cc3)c2N)c(OC)c1
InChIInChI=1S/C19H20N4O2S/c1-12-4-7-14(8-5-12)26-19-17(20)18(21-11-22-19)23-15-9-6-13(24-2)10-16(15)25-3/h4-11H,20H2,1-3H3,(H,21,22,23)
InChIKeyYFPNAPSWTZVKOS-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.28
Rot. Bonds6

About 4-N-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine

4-N-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine (PubChem CID 19142877) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-N-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
PubChem CID19142877
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-N-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
SMILESCOc1ccc(Nc2ncnc(Sc3ccc(C)cc3)c2N)c(OC)c1
InChIInChI=1S/C19H20N4O2S/c1-12-4-7-14(8-5-12)26-19-17(20)18(21-11-22-19)23-15-9-6-13(24-2)10-16(15)25-3/h4-11H,20H2,1-3H3,(H,21,22,23)
InChIKeyYFPNAPSWTZVKOS-UHFFFAOYSA-N
XLogP4.28
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
N-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine
CID 23494971
4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149890
6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19136592
2-N-(2,4-dimethoxyphenyl)-5-methylpyridine-2,3-diamine
CID 66280389
6-(4-methylphenyl)sulfanyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
CID 19149943
6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142849
6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 19142963
6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19142831
6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19142840
4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19135261
4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19148358

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine (CID 19142877) is 4-N-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine is COc1ccc(Nc2ncnc(Sc3ccc(C)cc3)c2N)c(OC)c1.
What is the InChIKey of 4-N-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine?
The InChIKey is YFPNAPSWTZVKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-4-7-14(8-5-12)26-19-17(20)18(21-11-22-19)23-15-9-6-13(24-2)10-16(15)25-3/h4-11H,20H2,1-3H3,(H,21,22,23).
What are the key properties of 4-N-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine?
4-N-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine has a molecular weight of 368.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine is sourced from PubChem (CID 19142877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).