N-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride

C17H22ClN3O — CID 73293919

IUPACN-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride
SMILESCCOc1ccc(N(C)c2nc(C)nc3c2CCC3)cc1.Cl
InChIInChI=1S/C17H21N3O.ClH/c1-4-21-14-10-8-13(9-11-14)20(3)17-15-6-5-7-16(15)18-12(2)19-17;/h8-11H,4-7H2,1-3H3;1H
InChIKeyGFDQYDXVGNSFLT-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.86
Rot. Bonds4

About N-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride

N-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride (PubChem CID 73293919) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride
PubChem CID73293919
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC NameN-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride
SMILESCCOc1ccc(N(C)c2nc(C)nc3c2CCC3)cc1.Cl
InChIInChI=1S/C17H21N3O.ClH/c1-4-21-14-10-8-13(9-11-14)20(3)17-15-6-5-7-16(15)18-12(2)19-17;/h8-11H,4-7H2,1-3H3;1H
InChIKeyGFDQYDXVGNSFLT-UHFFFAOYSA-N
XLogP3.86
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride (CID 73293919) is N-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride is CCOc1ccc(N(C)c2nc(C)nc3c2CCC3)cc1.Cl.
What is the InChIKey of N-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
The InChIKey is GFDQYDXVGNSFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.ClH/c1-4-21-14-10-8-13(9-11-14)20(3)17-15-6-5-7-16(15)18-12(2)19-17;/h8-11H,4-7H2,1-3H3;1H.
What are the key properties of N-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
N-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride has a molecular weight of 319.84 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 73293919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).