6-(2-methoxy-4-prop-1-en-2-ylphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine

C22H24N4O3S — CID 123283885

IUPAC6-(2-methoxy-4-prop-1-en-2-ylphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESC=C(C)c1ccc(-c2cc(Nc3cc(CS(C)(=O)=O)cc(C)n3)ncn2)c(OC)c1
InChIInChI=1S/C22H24N4O3S/c1-14(2)17-6-7-18(20(10-17)29-4)19-11-21(24-13-23-19)26-22-9-16(8-15(3)25-22)12-30(5,27)28/h6-11,13H,1,12H2,2-5H3,(H,23,24,25,26)
InChIKeyUWAVHBGGXUDWEW-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.18
Rot. Bonds7

About 6-(2-methoxy-4-prop-1-en-2-ylphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine

6-(2-methoxy-4-prop-1-en-2-ylphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 123283885) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 6-(2-methoxy-4-prop-1-en-2-ylphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxy-4-prop-1-en-2-ylphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID123283885
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name6-(2-methoxy-4-prop-1-en-2-ylphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESC=C(C)c1ccc(-c2cc(Nc3cc(CS(C)(=O)=O)cc(C)n3)ncn2)c(OC)c1
InChIInChI=1S/C22H24N4O3S/c1-14(2)17-6-7-18(20(10-17)29-4)19-11-21(24-13-23-19)26-22-9-16(8-15(3)25-22)12-30(5,27)28/h6-11,13H,1,12H2,2-5H3,(H,23,24,25,26)
InChIKeyUWAVHBGGXUDWEW-UHFFFAOYSA-N
XLogP4.18
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(2-methoxy-4-prop-1-en-2-ylphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[[6-(2-methoxy-4-prop-1-en-2-ylphenyl)pyrimidin-4-yl]amino]-6-methyl-4-pyridinyl]methyl]-N-methylhydroxylamine
CID 123491502
N-[6-(3-fluoro-2-methylpent-1-en-3-yl)-4-(methylsulfonylmethyl)-2-pyridinyl]-6-(2-methoxy-4-prop-1-en-2-ylphenyl)pyrimidin-4-amine
CID 123265204
6-(4-fluoro-2-methoxyphenyl)-N-[6-fluoro-4-(methylsulfinylmethyl)-2-pyridinyl]pyrimidin-4-amine
CID 123684441
4-(4-fluoro-2-methoxyphenyl)-N-[3-fluoro-5-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
CID 66576285
N-[[3-[[6-(4-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide
CID 70816762
1-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-propylmethanesulfonamide
CID 58550533
N-[3-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 67609910
methyl 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-3-methylbenzoate
CID 68915808
N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 7751072
3-N-[ethoxy(ethyl)phosphoryl]-1-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-4-methylbenzene-1,3-diamine
CID 90656365
[4-[[6-[(2,6-dimethylpyrimidin-4-yl)amino]pyrimidin-4-yl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 168859302
N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine
CID 69178153

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-4-prop-1-en-2-ylphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-(2-methoxy-4-prop-1-en-2-ylphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine (CID 123283885) is 6-(2-methoxy-4-prop-1-en-2-ylphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxy-4-prop-1-en-2-ylphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxy-4-prop-1-en-2-ylphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine is C=C(C)c1ccc(-c2cc(Nc3cc(CS(C)(=O)=O)cc(C)n3)ncn2)c(OC)c1.
What is the InChIKey of 6-(2-methoxy-4-prop-1-en-2-ylphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is UWAVHBGGXUDWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-14(2)17-6-7-18(20(10-17)29-4)19-11-21(24-13-23-19)26-22-9-16(8-15(3)25-22)12-30(5,27)28/h6-11,13H,1,12H2,2-5H3,(H,23,24,25,26).
What are the key properties of 6-(2-methoxy-4-prop-1-en-2-ylphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine?
6-(2-methoxy-4-prop-1-en-2-ylphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 424.53 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-4-prop-1-en-2-ylphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 123283885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).