N-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide

C20H18F2N4O2 — CID 109318006

IUPACN-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccc(Nc2nccc(C(=O)Nc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C20H18F2N4O2/c1-12(2)28-15-6-3-13(4-7-15)25-20-23-10-9-18(26-20)19(27)24-14-5-8-16(21)17(22)11-14/h3-12H,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyLLDNNYOVORRLMB-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.54
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide

N-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide (PubChem CID 109318006) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
PubChem CID109318006
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccc(Nc2nccc(C(=O)Nc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C20H18F2N4O2/c1-12(2)28-15-6-3-13(4-7-15)25-20-23-10-9-18(26-20)19(27)24-14-5-8-16(21)17(22)11-14/h3-12H,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyLLDNNYOVORRLMB-UHFFFAOYSA-N
XLogP4.54
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317996
N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109313546
2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109318223
2-(4-tert-butylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109316405
2-(2,4-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109318014
N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109295454
N-(4-acetylphenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317994
N-(3,4-difluorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315178
2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109314998
N-(3,4-difluorophenyl)-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109318035
2-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317120
2-(4-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109318827

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide (CID 109318006) is N-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide is CC(C)Oc1ccc(Nc2nccc(C(=O)Nc3ccc(F)c(F)c3)n2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The InChIKey is LLDNNYOVORRLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-12(2)28-15-6-3-13(4-7-15)25-20-23-10-9-18(26-20)19(27)24-14-5-8-16(21)17(22)11-14/h3-12H,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of N-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
N-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109318006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).