4-(diethylamino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide

C22H22F2N4O — CID 42673855

IUPAC4-(diethylamino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
SMILESCCN(CC)c1nc(-c2ccc(F)cc2)ncc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C22H22F2N4O/c1-3-28(4-2)21-19(22(29)26-13-15-5-9-17(23)10-6-15)14-25-20(27-21)16-7-11-18(24)12-8-16/h5-12,14H,3-4,13H2,1-2H3,(H,26,29)
InChIKeyRXXWMOGYBCSICG-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.20
Rot. Bonds7

About 4-(diethylamino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide

4-(diethylamino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 42673855) has the molecular formula C22H22F2N4O and a molecular weight of 396.44 g/mol. Its IUPAC name is 4-(diethylamino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(diethylamino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
PubChem CID42673855
Molecular FormulaC22H22F2N4O
Molecular Weight396.44 g/mol
Exact Mass396.18
IUPAC Name4-(diethylamino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
SMILESCCN(CC)c1nc(-c2ccc(F)cc2)ncc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C22H22F2N4O/c1-3-28(4-2)21-19(22(29)26-13-15-5-9-17(23)10-6-15)14-25-20(27-21)16-7-11-18(24)12-8-16/h5-12,14H,3-4,13H2,1-2H3,(H,26,29)
InChIKeyRXXWMOGYBCSICG-UHFFFAOYSA-N
XLogP4.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(methyl)amino]-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 83282097
4-(diethylamino)-2-(4-ethylphenyl)pyrimidine-5-carboxylic acid
CID 82169267
6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156713
5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 53490374
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 42674257
4-amino-2-(4-fluorophenyl)-N-methylpyrimidine-5-carboxamide
CID 83567202
2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 46345614
N-[(4-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080240
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824635
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55848686
N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide
CID 110851337

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-(diethylamino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide (CID 42673855) is 4-(diethylamino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(diethylamino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(diethylamino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide is CCN(CC)c1nc(-c2ccc(F)cc2)ncc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 4-(diethylamino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is RXXWMOGYBCSICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O/c1-3-28(4-2)21-19(22(29)26-13-15-5-9-17(23)10-6-15)14-25-20(27-21)16-7-11-18(24)12-8-16/h5-12,14H,3-4,13H2,1-2H3,(H,26,29).
What are the key properties of 4-(diethylamino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide?
4-(diethylamino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 42673855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).