N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide

C21H21FN4O2 — CID 112853112

IUPACN-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)NCc2ccc(F)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H21FN4O2/c1-28-12-11-23-19-13-18(25-20(26-19)16-5-3-2-4-6-16)21(27)24-14-15-7-9-17(22)10-8-15/h2-10,13H,11-12,14H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyKYFLRRXWCJNMFP-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.27
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853112) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853112
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)NCc2ccc(F)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H21FN4O2/c1-28-12-11-23-19-13-18(25-20(26-19)16-5-3-2-4-6-16)21(27)24-14-15-7-9-17(22)10-8-15/h2-10,13H,11-12,14H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyKYFLRRXWCJNMFP-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853114
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853219
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853211
N-(furan-2-ylmethyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853104
6-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880259
6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112851723
6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide
CID 112853132
N-(3-fluorophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853177
N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853130
6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 112853302
6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853304

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide (CID 112853112) is N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide is COCCNc1cc(C(=O)NCc2ccc(F)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is KYFLRRXWCJNMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-28-12-11-23-19-13-18(25-20(26-19)16-5-3-2-4-6-16)21(27)24-14-15-7-9-17(22)10-8-15/h2-10,13H,11-12,14H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).