6-(4-fluoro-2-methoxyphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine;6-(4-fluoro-2-methoxyphenyl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine

C37H36F2N8O6S2 — CID 159912792

IUPAC6-(4-fluoro-2-methoxyphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine;6-(4-fluoro-2-methoxyphenyl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCOc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(C)n2)ncn1.COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)ccn2)ncn1
InChIInChI=1S/C19H19FN4O3S.C18H17FN4O3S/c1-12-6-13(10-28(3,25)26)7-19(23-12)24-18-9-16(21-11-22-18)15-5-4-14(20)8-17(15)27-2;1-26-16-8-13(19)3-4-14(16)15-9-18(22-11-21-15)23-17-7-12(5-6-20-17)10-27(2,24)25/h4-9,11H,10H2,1-3H3,(H,21,22,23,24);3-9,11H,10H2,1-2H3,(H,20,21,22,23)
InChIKeyNXJVZTTUXVWFRZ-UHFFFAOYSA-N
MW790.88 g/mol
LogP6.26
Rot. Bonds12

About 6-(4-fluoro-2-methoxyphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine;6-(4-fluoro-2-methoxyphenyl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine

6-(4-fluoro-2-methoxyphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine;6-(4-fluoro-2-methoxyphenyl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 159912792) has the molecular formula C37H36F2N8O6S2 and a molecular weight of 790.88 g/mol. Its IUPAC name is 6-(4-fluoro-2-methoxyphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine;6-(4-fluoro-2-methoxyphenyl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-fluoro-2-methoxyphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine;6-(4-fluoro-2-methoxyphenyl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID159912792
Molecular FormulaC37H36F2N8O6S2
Molecular Weight790.88 g/mol
Exact Mass790.22
IUPAC Name6-(4-fluoro-2-methoxyphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine;6-(4-fluoro-2-methoxyphenyl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCOc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(C)n2)ncn1.COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)ccn2)ncn1
InChIInChI=1S/C19H19FN4O3S.C18H17FN4O3S/c1-12-6-13(10-28(3,25)26)7-19(23-12)24-18-9-16(21-11-22-18)15-5-4-14(20)8-17(15)27-2;1-26-16-8-13(19)3-4-14(16)15-9-18(22-11-21-15)23-17-7-12(5-6-20-17)10-27(2,24)25/h4-9,11H,10H2,1-3H3,(H,21,22,23,24);3-9,11H,10H2,1-2H3,(H,20,21,22,23)
InChIKeyNXJVZTTUXVWFRZ-UHFFFAOYSA-N
XLogP6.26
TPSA188.14 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500790.88
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 6-(4-fluoro-2-methoxyphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine;6-(4-fluoro-2-methoxyphenyl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine with MolForge

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Related Compounds

(3-{[6-(2-Methoxyphenyl)pyrimidin-4-yl]amino}phenyl)methanesulfonamide
CID 25104564
Enitociclib
CID 139593425
US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)-N-{4-[(methylsulfonyl)methyl]pyridin-2-yl}pyridin-2-amine
CID 73508010
4-{4-Fluoro-2-[(2-fluoropyridin-4-yl)methoxy]phenyl}-N-{3-[(methylsulfonyl)-methyl]phenyl}-1,3,5-triazin-2-amine
CID 66576054
Diaryl amine derivative 1
CID 71515733
[[2,3-Difluoro-5-[[5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methyl-methyl-oxo-lambda6-sulfanylidene]cyanamide
CID 71503462
5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-{3-fluoro-5-[(S-methyl-sulfonimidoyl)methyl]phenyl}pyrimidin-2-amine
CID 71515731
N-[3,4-difluoro-5-[(methylsulfonimidoyl)methyl]phenyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-amine
CID 71515735
(Inverted exclamation markA)-BAY-1251152
CID 74767009
6-(4-fluoro-2-methoxyphenyl)-N-[4-[(methylsulfonimidoyl)methyl]-2-pyridinyl]pyrimidin-4-amine
CID 74767656
5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[3-fluoro-5-[(methylsulfonodiimidoyl)methyl]phenyl]pyrimidin-2-amine
CID 118419634
5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[4-[(methylsulfonimidoyl)methyl]-2-pyridinyl]pyridin-2-amine
CID 155567919

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-methoxyphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine;6-(4-fluoro-2-methoxyphenyl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-(4-fluoro-2-methoxyphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine;6-(4-fluoro-2-methoxyphenyl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine (CID 159912792) is 6-(4-fluoro-2-methoxyphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine;6-(4-fluoro-2-methoxyphenyl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-fluoro-2-methoxyphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine;6-(4-fluoro-2-methoxyphenyl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-(4-fluoro-2-methoxyphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine;6-(4-fluoro-2-methoxyphenyl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine is COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(C)n2)ncn1.COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)ccn2)ncn1.
What is the InChIKey of 6-(4-fluoro-2-methoxyphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine;6-(4-fluoro-2-methoxyphenyl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is NXJVZTTUXVWFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S.C18H17FN4O3S/c1-12-6-13(10-28(3,25)26)7-19(23-12)24-18-9-16(21-11-22-18)15-5-4-14(20)8-17(15)27-2;1-26-16-8-13(19)3-4-14(16)15-9-18(22-11-21-15)23-17-7-12(5-6-20-17)10-27(2,24)25/h4-9,11H,10H2,1-3H3,(H,21,22,23,24);3-9,11H,10H2,1-2H3,(H,20,21,22,23).
What are the key properties of 6-(4-fluoro-2-methoxyphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine;6-(4-fluoro-2-methoxyphenyl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine?
6-(4-fluoro-2-methoxyphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine;6-(4-fluoro-2-methoxyphenyl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 790.88 g/mol, XLogP of 6.26, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-methoxyphenyl)-N-[6-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine;6-(4-fluoro-2-methoxyphenyl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 159912792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).