2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-phenylpyrimidine-5-carboxamide

C20H19FN4O2 — CID 74234846

IUPAC2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-phenylpyrimidine-5-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cnc(N)nc2-c2ccccc2)cc1F
InChIInChI=1S/C20H19FN4O2/c1-12(14-8-9-17(27-2)16(21)10-14)24-19(26)15-11-23-20(22)25-18(15)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,24,26)(H2,22,23,25)
InChIKeyHSCOIADWRXQACI-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.36
Rot. Bonds5

About 2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-phenylpyrimidine-5-carboxamide

2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-phenylpyrimidine-5-carboxamide (PubChem CID 74234846) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-phenylpyrimidine-5-carboxamide
PubChem CID74234846
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-phenylpyrimidine-5-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cnc(N)nc2-c2ccccc2)cc1F
InChIInChI=1S/C20H19FN4O2/c1-12(14-8-9-17(27-2)16(21)10-14)24-19(26)15-11-23-20(22)25-18(15)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,24,26)(H2,22,23,25)
InChIKeyHSCOIADWRXQACI-UHFFFAOYSA-N
XLogP3.36
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 107358477
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 16574262
3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 104741328
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 9051417
4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631830
2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62794095
2,4-dichloro-5-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 18275060
2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 16574257
4-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 46828541
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 2220812

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-phenylpyrimidine-5-carboxamide (CID 74234846) is 2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-phenylpyrimidine-5-carboxamide is COc1ccc(C(C)NC(=O)c2cnc(N)nc2-c2ccccc2)cc1F.
What is the InChIKey of 2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-phenylpyrimidine-5-carboxamide?
The InChIKey is HSCOIADWRXQACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-12(14-8-9-17(27-2)16(21)10-14)24-19(26)15-11-23-20(22)25-18(15)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,24,26)(H2,22,23,25).
What are the key properties of 2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-phenylpyrimidine-5-carboxamide?
2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-phenylpyrimidine-5-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 74234846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).