N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide

C20H18FN5O2 — CID 109336863

IUPACN-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(C)nc(Nc3ccc(F)cc3)n2)c1
InChIInChI=1S/C20H18FN5O2/c1-12-10-18(26-20(22-12)25-15-8-6-14(21)7-9-15)19(28)24-17-5-3-4-16(11-17)23-13(2)27/h3-11H,1-2H3,(H,23,27)(H,24,28)(H,22,25,26)
InChIKeyFRDBRHOPVNVRJV-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.88
Rot. Bonds5

About N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide

N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109336863) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109336863
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC NameN-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(C)nc(Nc3ccc(F)cc3)n2)c1
InChIInChI=1S/C20H18FN5O2/c1-12-10-18(26-20(22-12)25-15-8-6-14(21)7-9-15)19(28)24-17-5-3-4-16(11-17)23-13(2)27/h3-11H,1-2H3,(H,23,27)(H,24,28)(H,22,25,26)
InChIKeyFRDBRHOPVNVRJV-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

2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336871
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336848
2-(3-acetamidoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337862
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335973
2-[4-(dimethylamino)anilino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336925
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
2-(4-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336944
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336845
2-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336900
2-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337037
2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334677
N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110861303

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide (CID 109336863) is N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cc(C)nc(Nc3ccc(F)cc3)n2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is FRDBRHOPVNVRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-12-10-18(26-20(22-12)25-15-8-6-14(21)7-9-15)19(28)24-17-5-3-4-16(11-17)23-13(2)27/h3-11H,1-2H3,(H,23,27)(H,24,28)(H,22,25,26).
What are the key properties of N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide?
N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-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 N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109336863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).