2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide

C14H16ClF3N4O — CID 157029592

IUPAC2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCN(CC(=O)NC1(C(F)(F)F)CC1)c1nc(Cl)nc2c1CCC2
InChIInChI=1S/C14H16ClF3N4O/c1-22(7-10(23)21-13(5-6-13)14(16,17)18)11-8-3-2-4-9(8)19-12(15)20-11/h2-7H2,1H3,(H,21,23)
InChIKeyOHGVHZFPWQRKJE-UHFFFAOYSA-N
MW348.76 g/mol
LogP2.27
Rot. Bonds4

About 2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide

2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide (PubChem CID 157029592) has the molecular formula C14H16ClF3N4O and a molecular weight of 348.76 g/mol. Its IUPAC name is 2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
PubChem CID157029592
Molecular FormulaC14H16ClF3N4O
Molecular Weight348.76 g/mol
Exact Mass348.10
IUPAC Name2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCN(CC(=O)NC1(C(F)(F)F)CC1)c1nc(Cl)nc2c1CCC2
InChIInChI=1S/C14H16ClF3N4O/c1-22(7-10(23)21-13(5-6-13)14(16,17)18)11-8-3-2-4-9(8)19-12(15)20-11/h2-7H2,1H3,(H,21,23)
InChIKeyOHGVHZFPWQRKJE-UHFFFAOYSA-N
XLogP2.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanone
CID 53192886
N-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 53192897
2-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)(methyl)amino]-1-(1-pyrrolidinyl)-1-ethanone
CID 53192901
2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
CID 71836315
1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethylazetidine-3-carboxamide
CID 75482803
2-amino-N-(2,2-difluoropropyl)-4-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 143940675
1-[4-[[(Z)-1,3-diamino-4,4,4-trifluorobut-2-enylidene]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 144990599
2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 157029755
2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 157029878
(2R)-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(5-fluorocyclohexa-1,3-dien-1-yl)propanamide
CID 166823706
4-[7,7-difluoro-2-[(2S)-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-1-(2-oxo-2-piperazin-1-ylethyl)piperazin-2-one
CID 168954122
4-[7,7-Difluoro-2-(2-methylazetidin-1-yl)-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-1-(2-oxo-2-piperazin-1-ylethyl)piperazin-2-one
CID 168954128

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The IUPAC name of 2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide (CID 157029592) is 2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The canonical SMILES for 2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide is CN(CC(=O)NC1(C(F)(F)F)CC1)c1nc(Cl)nc2c1CCC2.
What is the InChIKey of 2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The InChIKey is OHGVHZFPWQRKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N4O/c1-22(7-10(23)21-13(5-6-13)14(16,17)18)11-8-3-2-4-9(8)19-12(15)20-11/h2-7H2,1H3,(H,21,23).
What are the key properties of 2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide has a molecular weight of 348.76 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide is sourced from PubChem (CID 157029592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).