2-chloro-4-methyl-5-(trifluoromethyl)pyrimidine;(2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide

C16H23ClF3N3O — CID 143387789

IUPAC2-chloro-4-methyl-5-(trifluoromethyl)pyrimidine;(2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)NC(=O)C1CCC[C@H]1C.Cc1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C10H19NO.C6H4ClF3N2/c1-7(2)11-10(12)9-6-4-5-8(9)3;1-3-4(6(8,9)10)2-11-5(7)12-3/h7-9H,4-6H2,1-3H3,(H,11,12);2H,1H3/t8-,9?;/m1./s1
InChIKeyKODJVRYVDDFOGF-URIXSHMWSA-N
MW365.83 g/mol
LogP4.40
Rot. Bonds2

About 2-chloro-4-methyl-5-(trifluoromethyl)pyrimidine;(2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide

2-chloro-4-methyl-5-(trifluoromethyl)pyrimidine;(2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide (PubChem CID 143387789) has the molecular formula C16H23ClF3N3O and a molecular weight of 365.83 g/mol. Its IUPAC name is 2-chloro-4-methyl-5-(trifluoromethyl)pyrimidine;(2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-chloro-4-methyl-5-(trifluoromethyl)pyrimidine;(2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
PubChem CID143387789
Molecular FormulaC16H23ClF3N3O
Molecular Weight365.83 g/mol
Exact Mass365.15
IUPAC Name2-chloro-4-methyl-5-(trifluoromethyl)pyrimidine;(2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)NC(=O)C1CCC[C@H]1C.Cc1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C10H19NO.C6H4ClF3N2/c1-7(2)11-10(12)9-6-4-5-8(9)3;1-3-4(6(8,9)10)2-11-5(7)12-3/h7-9H,4-6H2,1-3H3,(H,11,12);2H,1H3/t8-,9?;/m1./s1
InChIKeyKODJVRYVDDFOGF-URIXSHMWSA-N
XLogP4.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.83
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro trifluoromethyl-pyrimidin-5-carboxylic acid (cyclopentylmethyl)-amide
CID 57982607
trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 58464662
trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 58464678
(1S,2R)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propan-2-ylcyclopentane-1-carboxamide
CID 58809890
cis-(1S,2R)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propylcyclopentane-1-carboxamide
CID 87543309
trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propan-2-ylcyclopentane-1-carboxamide
CID 90846358
(1S)-2-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]propyl]cyclopentane-1-carboxamide
CID 143387696
2-chloro-4-methyl-5-(trifluoromethyl)pyrimidine;ethane;N-[1-(2-ethylcyclopentyl)ethenyl]propan-2-amine
CID 143578280
(1S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propan-2-ylcyclopentane-1-carboxamide
CID 143706744
(1S)-2-[3-(2-chloro-5-fluoropyrimidin-4-yl)propyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 163452570
N-[(1R)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-4,4,4-trifluorobutanamide
CID 25303485
N-[(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-4,4,4-trifluorobutanamide
CID 25303487

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-5-(trifluoromethyl)pyrimidine;(2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of 2-chloro-4-methyl-5-(trifluoromethyl)pyrimidine;(2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide (CID 143387789) is 2-chloro-4-methyl-5-(trifluoromethyl)pyrimidine;(2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-chloro-4-methyl-5-(trifluoromethyl)pyrimidine;(2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for 2-chloro-4-methyl-5-(trifluoromethyl)pyrimidine;(2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide is CC(C)NC(=O)C1CCC[C@H]1C.Cc1nc(Cl)ncc1C(F)(F)F.
What is the InChIKey of 2-chloro-4-methyl-5-(trifluoromethyl)pyrimidine;(2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide?
The InChIKey is KODJVRYVDDFOGF-URIXSHMWSA-N. The full InChI is InChI=1S/C10H19NO.C6H4ClF3N2/c1-7(2)11-10(12)9-6-4-5-8(9)3;1-3-4(6(8,9)10)2-11-5(7)12-3/h7-9H,4-6H2,1-3H3,(H,11,12);2H,1H3/t8-,9?;/m1./s1.
What are the key properties of 2-chloro-4-methyl-5-(trifluoromethyl)pyrimidine;(2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide?
2-chloro-4-methyl-5-(trifluoromethyl)pyrimidine;(2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide has a molecular weight of 365.83 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-5-(trifluoromethyl)pyrimidine;(2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 143387789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).