N-(2-methoxy-5-methylphenyl)-6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine

C18H25N5OS — CID 99968578

IUPACN-(2-methoxy-5-methylphenyl)-6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine
SMILESCOc1ccc(C)cc1Nc1cc(N2CCN(C)CC2)nc(SC)n1
InChIInChI=1S/C18H25N5OS/c1-13-5-6-15(24-3)14(11-13)19-16-12-17(21-18(20-16)25-4)23-9-7-22(2)8-10-23/h5-6,11-12H,7-10H2,1-4H3,(H,19,20,21)
InChIKeyJLAJHEIZIYRMIC-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.01
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine

N-(2-methoxy-5-methylphenyl)-6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 99968578) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine
PubChem CID99968578
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-(2-methoxy-5-methylphenyl)-6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine
SMILESCOc1ccc(C)cc1Nc1cc(N2CCN(C)CC2)nc(SC)n1
InChIInChI=1S/C18H25N5OS/c1-13-5-6-15(24-3)14(11-13)19-16-12-17(21-18(20-16)25-4)23-9-7-22(2)8-10-23/h5-6,11-12H,7-10H2,1-4H3,(H,19,20,21)
InChIKeyJLAJHEIZIYRMIC-UHFFFAOYSA-N
XLogP3.01
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888014
N-(2-methoxy-5-methylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869263
1-[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193637
6-(4-methylpiperazin-1-yl)-2-methylsulfanyl-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 99968574
N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968422
1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858485
N-(2,5-dimethoxyphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914067
N-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880967
2-methyl-6-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112870800
2-(4-ethylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine
CID 112914409
4-N-(2-methoxy-5-methylphenyl)-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112877102
1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914917

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine (CID 99968578) is N-(2-methoxy-5-methylphenyl)-6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine is COc1ccc(C)cc1Nc1cc(N2CCN(C)CC2)nc(SC)n1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is JLAJHEIZIYRMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-13-5-6-15(24-3)14(11-13)19-16-12-17(21-18(20-16)25-4)23-9-7-22(2)8-10-23/h5-6,11-12H,7-10H2,1-4H3,(H,19,20,21).
What are the key properties of N-(2-methoxy-5-methylphenyl)-6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine?
N-(2-methoxy-5-methylphenyl)-6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 359.50 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 99968578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).