2-(4-chlorophenyl)-3-(propan-2-ylamino)propanamide;N,N-diethyl-7-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C24H36ClN5O2 — CID 159283371

IUPAC2-(4-chlorophenyl)-3-(propan-2-ylamino)propanamide;N,N-diethyl-7-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC(C)NCC(C(N)=O)c1ccc(Cl)cc1.CCN(CC)c1ncnc2c1CCC2OC
InChIInChI=1S/C12H17ClN2O.C12H19N3O/c1-8(2)15-7-11(12(14)16)9-3-5-10(13)6-4-9;1-4-15(5-2)12-9-6-7-10(16-3)11(9)13-8-14-12/h3-6,8,11,15H,7H2,1-2H3,(H2,14,16);8,10H,4-7H2,1-3H3
InChIKeyKZEVPOHVWFFQRL-UHFFFAOYSA-N
MW462.04 g/mol
LogP3.86
Rot. Bonds9

About 2-(4-chlorophenyl)-3-(propan-2-ylamino)propanamide;N,N-diethyl-7-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-(4-chlorophenyl)-3-(propan-2-ylamino)propanamide;N,N-diethyl-7-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 159283371) has the molecular formula C24H36ClN5O2 and a molecular weight of 462.04 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(propan-2-ylamino)propanamide;N,N-diethyl-7-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(propan-2-ylamino)propanamide;N,N-diethyl-7-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID159283371
Molecular FormulaC24H36ClN5O2
Molecular Weight462.04 g/mol
Exact Mass461.26
IUPAC Name2-(4-chlorophenyl)-3-(propan-2-ylamino)propanamide;N,N-diethyl-7-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC(C)NCC(C(N)=O)c1ccc(Cl)cc1.CCN(CC)c1ncnc2c1CCC2OC
InChIInChI=1S/C12H17ClN2O.C12H19N3O/c1-8(2)15-7-11(12(14)16)9-3-5-10(13)6-4-9;1-4-15(5-2)12-9-6-7-10(16-3)11(9)13-8-14-12/h3-6,8,11,15H,7H2,1-2H3,(H2,14,16);8,10H,4-7H2,1-3H3
InChIKeyKZEVPOHVWFFQRL-UHFFFAOYSA-N
XLogP3.86
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.04
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(propan-2-ylamino)propanamide;N,N-diethyl-7-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(4-chlorophenyl)-3-(propan-2-ylamino)propanamide;N,N-diethyl-7-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 159283371) is 2-(4-chlorophenyl)-3-(propan-2-ylamino)propanamide;N,N-diethyl-7-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(propan-2-ylamino)propanamide;N,N-diethyl-7-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(propan-2-ylamino)propanamide;N,N-diethyl-7-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CC(C)NCC(C(N)=O)c1ccc(Cl)cc1.CCN(CC)c1ncnc2c1CCC2OC.
What is the InChIKey of 2-(4-chlorophenyl)-3-(propan-2-ylamino)propanamide;N,N-diethyl-7-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is KZEVPOHVWFFQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O.C12H19N3O/c1-8(2)15-7-11(12(14)16)9-3-5-10(13)6-4-9;1-4-15(5-2)12-9-6-7-10(16-3)11(9)13-8-14-12/h3-6,8,11,15H,7H2,1-2H3,(H2,14,16);8,10H,4-7H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-3-(propan-2-ylamino)propanamide;N,N-diethyl-7-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(4-chlorophenyl)-3-(propan-2-ylamino)propanamide;N,N-diethyl-7-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 462.04 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(propan-2-ylamino)propanamide;N,N-diethyl-7-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 159283371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).