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

C21H21FN4O2 — CID 109348267

IUPAC6-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(NCc2ccc(F)cc2)ncn1
InChIInChI=1S/C21H21FN4O2/c1-28-19-5-3-2-4-16(19)10-11-23-21(27)18-12-20(26-14-25-18)24-13-15-6-8-17(22)9-7-15/h2-9,12,14H,10-11,13H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyAQNCZEHAFCELMP-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.21
Rot. Bonds8

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

6-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109348267) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID109348267
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name6-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(NCc2ccc(F)cc2)ncn1
InChIInChI=1S/C21H21FN4O2/c1-28-19-5-3-2-4-16(19)10-11-23-21(27)18-12-20(26-14-25-18)24-13-15-6-8-17(22)9-7-15/h2-9,12,14H,10-11,13H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyAQNCZEHAFCELMP-UHFFFAOYSA-N
XLogP3.21
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109348269
6-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109350279
6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109339848
6-(tert-butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351230
6-[2-(2-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109350845
2-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109305508
6-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351005
N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348377
N-[2-(3-chlorophenyl)ethyl]-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348867
6-[(2-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109348842
N-[(4-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109189600
N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342768

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide (CID 109348267) is 6-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide is COc1ccccc1CCNC(=O)c1cc(NCc2ccc(F)cc2)ncn1.
What is the InChIKey of 6-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is AQNCZEHAFCELMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-28-19-5-3-2-4-16(19)10-11-23-21(27)18-12-20(26-14-25-18)24-13-15-6-8-17(22)9-7-15/h2-9,12,14H,10-11,13H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of 6-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
6-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109348267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).