6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide

C20H18FN5O2 — CID 112849955

IUPAC6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cc(C(=O)Nc3ccc(F)cc3)nc(C)n2)c1
InChIInChI=1S/C20H18FN5O2/c1-12-22-18(20(28)26-15-8-6-14(21)7-9-15)11-19(23-12)25-17-5-3-4-16(10-17)24-13(2)27/h3-11H,1-2H3,(H,24,27)(H,26,28)(H,22,23,25)
InChIKeyPJPVFECZRXCUKL-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.88
Rot. Bonds5

About 6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide

6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112849955) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112849955
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cc(C(=O)Nc3ccc(F)cc3)nc(C)n2)c1
InChIInChI=1S/C20H18FN5O2/c1-12-22-18(20(28)26-15-8-6-14(21)7-9-15)11-19(23-12)25-17-5-3-4-16(10-17)24-13(2)27/h3-11H,1-2H3,(H,24,27)(H,26,28)(H,22,23,25)
InChIKeyPJPVFECZRXCUKL-UHFFFAOYSA-N
XLogP3.88
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848448
6-(3-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849930
6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849978
N-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850553
6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849931
6-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849936
N-(3-chlorophenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112850112
6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850309
N-[4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878807
6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849979
6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850479
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849965

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide (CID 112849955) is 6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide is CC(=O)Nc1cccc(Nc2cc(C(=O)Nc3ccc(F)cc3)nc(C)n2)c1.
What is the InChIKey of 6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is PJPVFECZRXCUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-12-22-18(20(28)26-15-8-6-14(21)7-9-15)11-19(23-12)25-17-5-3-4-16(10-17)24-13(2)27/h3-11H,1-2H3,(H,24,27)(H,26,28)(H,22,23,25).
What are the key properties of 6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112849955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).