6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine

C14H18N4OS — CID 107647224

IUPAC6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2ccccc2SC)c1OC
InChIInChI=1S/C14H18N4OS/c1-4-15-13-12(19-2)14(17-9-16-13)18-10-7-5-6-8-11(10)20-3/h5-9H,4H2,1-3H3,(H2,15,16,17,18)
InChIKeyPSJKZTHGYPSBKS-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.38
Rot. Bonds6

About 6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine

6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine (PubChem CID 107647224) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine
PubChem CID107647224
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2ccccc2SC)c1OC
InChIInChI=1S/C14H18N4OS/c1-4-15-13-12(19-2)14(17-9-16-13)18-10-7-5-6-8-11(10)20-3/h5-9H,4H2,1-3H3,(H2,15,16,17,18)
InChIKeyPSJKZTHGYPSBKS-UHFFFAOYSA-N
XLogP3.38
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N,5-diethyl-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 107647171
6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80768641
3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
CID 107647228
4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine
CID 107643406
6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83147579
6-(2-bromophenyl)-N-ethyl-5-methoxypyrimidin-4-amine
CID 113324652
4-N-(2-methylsulfanylphenyl)pyrimidine-4,5-diamine
CID 107643432
6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine
CID 80768828
6-N-ethyl-5-methyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine
CID 80807254
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol
CID 114094101
4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine
CID 114944716
2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855567

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine (CID 107647224) is 6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine is CCNc1ncnc(Nc2ccccc2SC)c1OC.
What is the InChIKey of 6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine?
The InChIKey is PSJKZTHGYPSBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-4-15-13-12(19-2)14(17-9-16-13)18-10-7-5-6-8-11(10)20-3/h5-9H,4H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine?
6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine has a molecular weight of 290.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 107647224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).