2-(4-chloro-2-pyridinyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C16H16ClF3N4 — CID 166823635

IUPAC2-(4-chloro-2-pyridinyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCN(CC(F)(F)F)c1nc(-c2cc(Cl)ccn2)nc2c1CCC2
InChIInChI=1S/C16H16ClF3N4/c1-2-24(9-16(18,19)20)15-11-4-3-5-12(11)22-14(23-15)13-8-10(17)6-7-21-13/h6-8H,2-5,9H2,1H3
InChIKeyGGHNELCWBXPJFG-UHFFFAOYSA-N
MW356.78 g/mol
LogP4.07
Rot. Bonds4

About 2-(4-chloro-2-pyridinyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-(4-chloro-2-pyridinyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 166823635) has the molecular formula C16H16ClF3N4 and a molecular weight of 356.78 g/mol. Its IUPAC name is 2-(4-chloro-2-pyridinyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-chloro-2-pyridinyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID166823635
Molecular FormulaC16H16ClF3N4
Molecular Weight356.78 g/mol
Exact Mass356.10
IUPAC Name2-(4-chloro-2-pyridinyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCN(CC(F)(F)F)c1nc(-c2cc(Cl)ccn2)nc2c1CCC2
InChIInChI=1S/C16H16ClF3N4/c1-2-24(9-16(18,19)20)15-11-4-3-5-12(11)22-14(23-15)13-8-10(17)6-7-21-13/h6-8H,2-5,9H2,1H3
InChIKeyGGHNELCWBXPJFG-UHFFFAOYSA-N
XLogP4.07
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-2-pyridinyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine with MolForge

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Related Compounds

N-tert-butyl-2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]acetamide;ethane
CID 157029570
2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 157029926
2-[methyl-[2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetaldehyde
CID 157030264
N-tert-butyl-2-[[2-[6-[tert-butyl-[2-[[2-(4-chloro-2-pyridinyl)-5-oxo-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]acetyl]amino]-4-chloro-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 167209585
4-chloro-2-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline
CID 63840648
[2-[4-[[2-[tert-butyl(methyl)amino]-2-oxoethyl]-methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl] hypoiodite
CID 166817085
2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63840703
N-ethyl-2-[[2-[4-[(2R)-2-hydroxybutoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 157029503
2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone
CID 170202506
N-tert-butyl-2-[[2-(4-chloro-2-pyridinyl)-5-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 157029593
2-[[2-(4-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methoxy-3-pyridinyl)acetamide
CID 157030372
2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 166823569

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-pyridinyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(4-chloro-2-pyridinyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 166823635) is 2-(4-chloro-2-pyridinyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-chloro-2-pyridinyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-chloro-2-pyridinyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCN(CC(F)(F)F)c1nc(-c2cc(Cl)ccn2)nc2c1CCC2.
What is the InChIKey of 2-(4-chloro-2-pyridinyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is GGHNELCWBXPJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4/c1-2-24(9-16(18,19)20)15-11-4-3-5-12(11)22-14(23-15)13-8-10(17)6-7-21-13/h6-8H,2-5,9H2,1H3.
What are the key properties of 2-(4-chloro-2-pyridinyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(4-chloro-2-pyridinyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 356.78 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-pyridinyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 166823635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).