2-amino-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide

C15H22F3N5O2 — CID 124755714

IUPAC2-amino-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCN(C)CCN(C[C@H]1CCCO1)C(=O)c1cnc(N)nc1C(F)(F)F
InChIInChI=1S/C15H22F3N5O2/c1-22(2)5-6-23(9-10-4-3-7-25-10)13(24)11-8-20-14(19)21-12(11)15(16,17)18/h8,10H,3-7,9H2,1-2H3,(H2,19,20,21)/t10-/m1/s1
InChIKeyQZUHYIMRIMNTEO-SNVBAGLBSA-N
MW361.37 g/mol
LogP1.26
Rot. Bonds6

About 2-amino-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide

2-amino-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 124755714) has the molecular formula C15H22F3N5O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID124755714
Molecular FormulaC15H22F3N5O2
Molecular Weight361.37 g/mol
Exact Mass361.17
IUPAC Name2-amino-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCN(C)CCN(C[C@H]1CCCO1)C(=O)c1cnc(N)nc1C(F)(F)F
InChIInChI=1S/C15H22F3N5O2/c1-22(2)5-6-23(9-10-4-3-7-25-10)13(24)11-8-20-14(19)21-12(11)15(16,17)18/h8,10H,3-7,9H2,1-2H3,(H2,19,20,21)/t10-/m1/s1
InChIKeyQZUHYIMRIMNTEO-SNVBAGLBSA-N
XLogP1.26
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95159511
N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 154739069
N-[2-(dimethylamino)ethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 97434846
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-3-carboxamide
CID 99123443
3-(2-tert-butylpyrimidin-5-yl)-1-[2-(dimethylamino)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95353157
4-chloro-N-[2-(dimethylamino)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95282674
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124693343
3-(5-aminopyrazin-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 126438198
N-[2-(dimethylamino)ethyl]-5,7-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 129433974
N-[2-(dimethylamino)ethyl]-2-fluoro-4-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95334225
N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-(oxolan-2-ylmethyl)benzamide
CID 71980640
N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 96570042

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 124755714) is 2-amino-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide is CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cnc(N)nc1C(F)(F)F.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is QZUHYIMRIMNTEO-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H22F3N5O2/c1-22(2)5-6-23(9-10-4-3-7-25-10)13(24)11-8-20-14(19)21-12(11)15(16,17)18/h8,10H,3-7,9H2,1-2H3,(H2,19,20,21)/t10-/m1/s1.
What are the key properties of 2-amino-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide?
2-amino-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 361.37 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 124755714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).