2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide

C27H25F3N6O2 — CID 153393211

IUPAC2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide
SMILESCc1cc(-c2c(C(=O)NCc3cccc(C(C)(C)O)n3)nc(N)nc2-c2ccc(F)cc2)cc(C(F)F)n1
InChIInChI=1S/C27H25F3N6O2/c1-14-11-16(12-19(33-14)24(29)30)21-22(15-7-9-17(28)10-8-15)35-26(31)36-23(21)25(37)32-13-18-5-4-6-20(34-18)27(2,3)38/h4-12,24,38H,13H2,1-3H3,(H,32,37)(H2,31,35,36)
InChIKeyMLGNQVZDFGGORC-UHFFFAOYSA-N
MW522.53 g/mol
LogP4.73
Rot. Bonds7

About 2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide

2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide (PubChem CID 153393211) has the molecular formula C27H25F3N6O2 and a molecular weight of 522.53 g/mol. Its IUPAC name is 2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide
PubChem CID153393211
Molecular FormulaC27H25F3N6O2
Molecular Weight522.53 g/mol
Exact Mass522.20
IUPAC Name2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide
SMILESCc1cc(-c2c(C(=O)NCc3cccc(C(C)(C)O)n3)nc(N)nc2-c2ccc(F)cc2)cc(C(F)F)n1
InChIInChI=1S/C27H25F3N6O2/c1-14-11-16(12-19(33-14)24(29)30)21-22(15-7-9-17(28)10-8-15)35-26(31)36-23(21)25(37)32-13-18-5-4-6-20(34-18)27(2,3)38/h4-12,24,38H,13H2,1-3H3,(H,32,37)(H2,31,35,36)
InChIKeyMLGNQVZDFGGORC-UHFFFAOYSA-N
XLogP4.73
TPSA126.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.53
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide (CID 153393211) is 2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide is Cc1cc(-c2c(C(=O)NCc3cccc(C(C)(C)O)n3)nc(N)nc2-c2ccc(F)cc2)cc(C(F)F)n1.
What is the InChIKey of 2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide?
The InChIKey is MLGNQVZDFGGORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N6O2/c1-14-11-16(12-19(33-14)24(29)30)21-22(15-7-9-17(28)10-8-15)35-26(31)36-23(21)25(37)32-13-18-5-4-6-20(34-18)27(2,3)38/h4-12,24,38H,13H2,1-3H3,(H,32,37)(H2,31,35,36).
What are the key properties of 2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide?
2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide has a molecular weight of 522.53 g/mol, XLogP of 4.73, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 153393211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).