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

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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).