6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide

C13H13FN4O — CID 46179338

IUPAC6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C13H13FN4O/c1-2-15-12-7-11(16-8-17-12)13(19)18-10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyXDYMMJUUBIBOSI-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.30
Rot. Bonds4

About 6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide

6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide (PubChem CID 46179338) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
PubChem CID46179338
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C13H13FN4O/c1-2-15-12-7-11(16-8-17-12)13(19)18-10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyXDYMMJUUBIBOSI-UHFFFAOYSA-N
XLogP2.30
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(tert-butylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109353761
6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357328
N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348320
6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109348330
6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109348543
N-(4-fluorophenyl)-6-(thiophen-3-ylmethylamino)pyrimidine-4-carboxamide
CID 68553648
N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353538
6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358001
N-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide
CID 46179432
N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 109338344
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358027
6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357398

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide (CID 46179338) is 6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide is CCNc1cc(C(=O)Nc2ccc(F)cc2)ncn1.
What is the InChIKey of 6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is XDYMMJUUBIBOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-2-15-12-7-11(16-8-17-12)13(19)18-10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 46179338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).