6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide

C20H19FN4O2 — CID 109351052

IUPAC6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(NCCc2ccc(F)cc2)ncn1
InChIInChI=1S/C20H19FN4O2/c1-27-18-5-3-2-4-16(18)25-20(26)17-12-19(24-13-23-17)22-11-10-14-6-8-15(21)9-7-14/h2-9,12-13H,10-11H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyRSOPQTGENSNVLT-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.53
Rot. Bonds7

About 6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide

6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109351052) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109351052
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(NCCc2ccc(F)cc2)ncn1
InChIInChI=1S/C20H19FN4O2/c1-27-18-5-3-2-4-16(18)25-20(26)17-12-19(24-13-23-17)22-11-10-14-6-8-15(21)9-7-14/h2-9,12-13H,10-11H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyRSOPQTGENSNVLT-UHFFFAOYSA-N
XLogP3.53
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351447
6-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351005
6-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109351074
6-[2-(4-fluorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109351026
6-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109348267
N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342768
N-(3-chloro-4-methylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351050
6-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109353551
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109351302
6-N-[2-(4-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860060
6-(1,3-benzodioxol-5-ylmethylamino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109349289
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109350430

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide (CID 109351052) is 6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide is COc1ccccc1NC(=O)c1cc(NCCc2ccc(F)cc2)ncn1.
What is the InChIKey of 6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is RSOPQTGENSNVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-27-18-5-3-2-4-16(18)25-20(26)17-12-19(24-13-23-17)22-11-10-14-6-8-15(21)9-7-14/h2-9,12-13H,10-11H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109351052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).