5-amino-2-[5-fluoro-2-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide

C24H21F2N7O2 — CID 175958735

IUPAC5-amino-2-[5-fluoro-2-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(F)c(Nc2ncc(F)cc2-c2nc(C(N)=O)c(N)c(-c3c(C)ccc(O)c3C)n2)n1
InChIInChI=1S/C24H21F2N7O2/c1-10-4-7-16(34)12(3)17(10)19-18(27)20(21(28)35)32-23(31-19)14-8-13(25)9-29-22(14)33-24-15(26)6-5-11(2)30-24/h4-9,34H,27H2,1-3H3,(H2,28,35)(H,29,30,33)
InChIKeyAQTZTPUZQXUAIM-UHFFFAOYSA-N
MW477.48 g/mol
LogP3.93
Rot. Bonds5

About 5-amino-2-[5-fluoro-2-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide

5-amino-2-[5-fluoro-2-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 175958735) has the molecular formula C24H21F2N7O2 and a molecular weight of 477.48 g/mol. Its IUPAC name is 5-amino-2-[5-fluoro-2-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[5-fluoro-2-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID175958735
Molecular FormulaC24H21F2N7O2
Molecular Weight477.48 g/mol
Exact Mass477.17
IUPAC Name5-amino-2-[5-fluoro-2-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(F)c(Nc2ncc(F)cc2-c2nc(C(N)=O)c(N)c(-c3c(C)ccc(O)c3C)n2)n1
InChIInChI=1S/C24H21F2N7O2/c1-10-4-7-16(34)12(3)17(10)19-18(27)20(21(28)35)32-23(31-19)14-8-13(25)9-29-22(14)33-24-15(26)6-5-11(2)30-24/h4-9,34H,27H2,1-3H3,(H2,28,35)(H,29,30,33)
InChIKeyAQTZTPUZQXUAIM-UHFFFAOYSA-N
XLogP3.93
TPSA152.93 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[5-fluoro-2-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-2-[5-fluoro-2-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide (CID 175958735) is 5-amino-2-[5-fluoro-2-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-2-[5-fluoro-2-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-2-[5-fluoro-2-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide is Cc1ccc(F)c(Nc2ncc(F)cc2-c2nc(C(N)=O)c(N)c(-c3c(C)ccc(O)c3C)n2)n1.
What is the InChIKey of 5-amino-2-[5-fluoro-2-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is AQTZTPUZQXUAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N7O2/c1-10-4-7-16(34)12(3)17(10)19-18(27)20(21(28)35)32-23(31-19)14-8-13(25)9-29-22(14)33-24-15(26)6-5-11(2)30-24/h4-9,34H,27H2,1-3H3,(H2,28,35)(H,29,30,33).
What are the key properties of 5-amino-2-[5-fluoro-2-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide?
5-amino-2-[5-fluoro-2-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 477.48 g/mol, XLogP of 3.93, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[5-fluoro-2-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 175958735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).