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

C17H22ClN3O — CID 44612040

IUPACN-(4-methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride
SMILESCOc1ccc(N(C)c2nc(C)nc3c2CC(C)C3)cc1.Cl
InChIInChI=1S/C17H21N3O.ClH/c1-11-9-15-16(10-11)18-12(2)19-17(15)20(3)13-5-7-14(21-4)8-6-13;/h5-8,11H,9-10H2,1-4H3;1H
InChIKeyNDXKJZRXESTNKZ-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.72
Rot. Bonds3

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

N-(4-methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride (PubChem CID 44612040) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride
PubChem CID44612040
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC NameN-(4-methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride
SMILESCOc1ccc(N(C)c2nc(C)nc3c2CC(C)C3)cc1.Cl
InChIInChI=1S/C17H21N3O.ClH/c1-11-9-15-16(10-11)18-12(2)19-17(15)20(3)13-5-7-14(21-4)8-6-13;/h5-8,11H,9-10H2,1-4H3;1H
InChIKeyNDXKJZRXESTNKZ-UHFFFAOYSA-N
XLogP3.72
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-(4-methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride (CID 44612040) is N-(4-methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-(4-methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride is COc1ccc(N(C)c2nc(C)nc3c2CC(C)C3)cc1.Cl.
What is the InChIKey of N-(4-methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
The InChIKey is NDXKJZRXESTNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.ClH/c1-11-9-15-16(10-11)18-12(2)19-17(15)20(3)13-5-7-14(21-4)8-6-13;/h5-8,11H,9-10H2,1-4H3;1H.
What are the key properties of N-(4-methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
N-(4-methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride has a molecular weight of 319.84 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 44612040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).