2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide

C14H14F3N5O — CID 72895592

IUPAC2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NC(c2cccnc2)C(F)(F)F)cn1
InChIInChI=1S/C14H14F3N5O/c1-2-19-13-20-7-10(8-21-13)12(23)22-11(14(15,16)17)9-4-3-5-18-6-9/h3-8,11H,2H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyIHVVEEVHPPAAQG-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.34
Rot. Bonds5

About 2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide

2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide (PubChem CID 72895592) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
PubChem CID72895592
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC Name2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NC(c2cccnc2)C(F)(F)F)cn1
InChIInChI=1S/C14H14F3N5O/c1-2-19-13-20-7-10(8-21-13)12(23)22-11(14(15,16)17)9-4-3-5-18-6-9/h3-8,11H,2H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyIHVVEEVHPPAAQG-UHFFFAOYSA-N
XLogP2.34
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 97146146
4-(1,2,4-triazol-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)benzamide
CID 77091530
4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 74244228
4-ethyl-2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide
CID 99946797
4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide
CID 97433684
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393
3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide
CID 99946998
N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine
CID 131036778
2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide
CID 99934472
2-(ethylamino)-N-[(R)-furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide
CID 97148730
3-pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide
CID 74231438
5-[(2,6-dimethylphenoxy)methyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide
CID 42098954

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide (CID 72895592) is 2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NC(c2cccnc2)C(F)(F)F)cn1.
What is the InChIKey of 2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is IHVVEEVHPPAAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O/c1-2-19-13-20-7-10(8-21-13)12(23)22-11(14(15,16)17)9-4-3-5-18-6-9/h3-8,11H,2H2,1H3,(H,22,23)(H,19,20,21).
What are the key properties of 2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide?
2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 72895592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).