2-(2-chlorophenyl)-N-[1-(3-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine

C22H21ClFN3 — CID 142126190

IUPAC2-(2-chlorophenyl)-N-[1-(3-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine
SMILESC=C(NC1=NC(c2ccccc2Cl)NC2=C1CCC2)c1cccc(F)c1C
InChIInChI=1S/C22H21ClFN3/c1-13-15(8-5-11-19(13)24)14(2)25-22-17-9-6-12-20(17)26-21(27-22)16-7-3-4-10-18(16)23/h3-5,7-8,10-11,21,26H,2,6,9,12H2,1H3,(H,25,27)
InChIKeyBGIRHNREXUYKCN-UHFFFAOYSA-N
MW381.88 g/mol
LogP5.49
Rot. Bonds3

About 2-(2-chlorophenyl)-N-[1-(3-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine

2-(2-chlorophenyl)-N-[1-(3-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 142126190) has the molecular formula C22H21ClFN3 and a molecular weight of 381.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[1-(3-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[1-(3-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine
PubChem CID142126190
Molecular FormulaC22H21ClFN3
Molecular Weight381.88 g/mol
Exact Mass381.14
IUPAC Name2-(2-chlorophenyl)-N-[1-(3-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine
SMILESC=C(NC1=NC(c2ccccc2Cl)NC2=C1CCC2)c1cccc(F)c1C
InChIInChI=1S/C22H21ClFN3/c1-13-15(8-5-11-19(13)24)14(2)25-22-17-9-6-12-20(17)26-21(27-22)16-7-3-4-10-18(16)23/h3-5,7-8,10-11,21,26H,2,6,9,12H2,1H3,(H,25,27)
InChIKeyBGIRHNREXUYKCN-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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Related Compounds

N-[1-(5-fluoro-2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydropyrido[3,4-d]pyrimidin-4-amine;pentane
CID 142126193
(4R)-4-(2-chlorophenyl)-N-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1023463
N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 142729745
(4R)-N-(3-chloro-2-methylphenyl)-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1128021
3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613
1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 53364910
(4R)-4-(2,3-dichlorophenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92848352
3-chloro-2-hydroxy-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)benzamide
CID 138509822
2-chloro-6-fluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450751
(6R)-6-(2-chloro-6-fluorophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 713510
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide
CID 10200703
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide
CID 42889076

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[1-(3-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-[1-(3-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine (CID 142126190) is 2-(2-chlorophenyl)-N-[1-(3-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-(3-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-[1-(3-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine is C=C(NC1=NC(c2ccccc2Cl)NC2=C1CCC2)c1cccc(F)c1C.
What is the InChIKey of 2-(2-chlorophenyl)-N-[1-(3-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is BGIRHNREXUYKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3/c1-13-15(8-5-11-19(13)24)14(2)25-22-17-9-6-12-20(17)26-21(27-22)16-7-3-4-10-18(16)23/h3-5,7-8,10-11,21,26H,2,6,9,12H2,1H3,(H,25,27).
What are the key properties of 2-(2-chlorophenyl)-N-[1-(3-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine?
2-(2-chlorophenyl)-N-[1-(3-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-(3-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 142126190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).