6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide

C19H17FN4O2 — CID 109358001

IUPAC6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1cc(C(=O)Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C19H17FN4O2/c1-2-26-17-6-4-3-5-15(17)24-18-11-16(21-12-22-18)19(25)23-14-9-7-13(20)8-10-14/h3-12H,2H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyRMQUYBUKTLNZHF-UHFFFAOYSA-N
MW352.37 g/mol
LogP4.01
Rot. Bonds6

About 6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide

6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109358001) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
PubChem CID109358001
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1cc(C(=O)Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C19H17FN4O2/c1-2-26-17-6-4-3-5-15(17)24-18-11-16(21-12-22-18)19(25)23-14-9-7-13(20)8-10-14/h3-12H,2H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyRMQUYBUKTLNZHF-UHFFFAOYSA-N
XLogP4.01
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109359004
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109358994
N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109356224
methyl 3-[[6-(2-ethoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358989
N-(3-cyanophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109358999
6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357737
6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358693
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358268
N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358715
6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109350972
ethyl 2-[[6-(4-fluoroanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109357982
6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357328

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide (CID 109358001) is 6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide is CCOc1ccccc1Nc1cc(C(=O)Nc2ccc(F)cc2)ncn1.
What is the InChIKey of 6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is RMQUYBUKTLNZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-2-26-17-6-4-3-5-15(17)24-18-11-16(21-12-22-18)19(25)23-14-9-7-13(20)8-10-14/h3-12H,2H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of 6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).