2-(2-chlorophenyl)-N-[1-(5-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine

C22H21ClFN3 — CID 142125766

IUPAC2-(2-chlorophenyl)-N-[1-(5-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine
SMILESC=C(NC1=NC(c2ccccc2Cl)NC2=C1CCC2)c1cc(F)ccc1C
InChIInChI=1S/C22H21ClFN3/c1-13-10-11-15(24)12-18(13)14(2)25-22-17-7-5-9-20(17)26-21(27-22)16-6-3-4-8-19(16)23/h3-4,6,8,10-12,21,26H,2,5,7,9H2,1H3,(H,25,27)
InChIKeyLPDCNZOTNNSMBZ-UHFFFAOYSA-N
MW381.88 g/mol
LogP5.49
Rot. Bonds3

About 2-(2-chlorophenyl)-N-[1-(5-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine

2-(2-chlorophenyl)-N-[1-(5-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 142125766) has the molecular formula C22H21ClFN3 and a molecular weight of 381.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[1-(5-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[1-(5-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine
PubChem CID142125766
Molecular FormulaC22H21ClFN3
Molecular Weight381.88 g/mol
Exact Mass381.14
IUPAC Name2-(2-chlorophenyl)-N-[1-(5-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine
SMILESC=C(NC1=NC(c2ccccc2Cl)NC2=C1CCC2)c1cc(F)ccc1C
InChIInChI=1S/C22H21ClFN3/c1-13-10-11-15(24)12-18(13)14(2)25-22-17-7-5-9-20(17)26-21(27-22)16-6-3-4-8-19(16)23/h3-4,6,8,10-12,21,26H,2,5,7,9H2,1H3,(H,25,27)
InChIKeyLPDCNZOTNNSMBZ-UHFFFAOYSA-N
XLogP5.49
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.88
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[1-(5-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-[1-(5-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine (CID 142125766) is 2-(2-chlorophenyl)-N-[1-(5-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[1-(5-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-[1-(5-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine is C=C(NC1=NC(c2ccccc2Cl)NC2=C1CCC2)c1cc(F)ccc1C.
What is the InChIKey of 2-(2-chlorophenyl)-N-[1-(5-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is LPDCNZOTNNSMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3/c1-13-10-11-15(24)12-18(13)14(2)25-22-17-7-5-9-20(17)26-21(27-22)16-6-3-4-8-19(16)23/h3-4,6,8,10-12,21,26H,2,5,7,9H2,1H3,(H,25,27).
What are the key properties of 2-(2-chlorophenyl)-N-[1-(5-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine?
2-(2-chlorophenyl)-N-[1-(5-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 381.88 g/mol, XLogP of 5.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[1-(5-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 142125766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).