2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide

C16H19FN4O — CID 109246508

IUPAC2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(NCCc2ccccc2F)nc1
InChIInChI=1S/C16H19FN4O/c1-2-8-18-15(22)13-10-20-16(21-11-13)19-9-7-12-5-3-4-6-14(12)17/h3-6,10-11H,2,7-9H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyFGMRGZZZZYNIND-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.41
Rot. Bonds7

About 2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide

2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide (PubChem CID 109246508) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
PubChem CID109246508
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(NCCc2ccccc2F)nc1
InChIInChI=1S/C16H19FN4O/c1-2-8-18-15(22)13-10-20-16(21-11-13)19-9-7-12-5-3-4-6-14(12)17/h3-6,10-11H,2,7-9H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyFGMRGZZZZYNIND-UHFFFAOYSA-N
XLogP2.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide
CID 109246495
2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide
CID 109246506
2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109248264
2-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255820
2-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258815
2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109257016
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
CID 109246522
1-[4-[2-[2-(2-fluorophenyl)ethylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254624
N-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255062
N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109256911
N-[2-(2-fluorophenyl)ethyl]-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253197
[2-[2-(2-fluorophenyl)ethylamino]pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253672

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide (CID 109246508) is 2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide is CCCNC(=O)c1cnc(NCCc2ccccc2F)nc1.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide?
The InChIKey is FGMRGZZZZYNIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-2-8-18-15(22)13-10-20-16(21-11-13)19-9-7-12-5-3-4-6-14(12)17/h3-6,10-11H,2,7-9H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide?
2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 109246508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).