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

C16H19Cl2N3 — CID 73293731

IUPACN-(4-chlorophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride
SMILESCc1nc2c(c(N(C)c3ccc(Cl)cc3)n1)CC(C)C2.Cl
InChIInChI=1S/C16H18ClN3.ClH/c1-10-8-14-15(9-10)18-11(2)19-16(14)20(3)13-6-4-12(17)5-7-13;/h4-7,10H,8-9H2,1-3H3;1H
InChIKeyOPPFZXZSMACIOI-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.36
Rot. Bonds2

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

N-(4-chlorophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride (PubChem CID 73293731) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.25 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride
PubChem CID73293731
Molecular FormulaC16H19Cl2N3
Molecular Weight324.25 g/mol
Exact Mass323.10
IUPAC NameN-(4-chlorophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride
SMILESCc1nc2c(c(N(C)c3ccc(Cl)cc3)n1)CC(C)C2.Cl
InChIInChI=1S/C16H18ClN3.ClH/c1-10-8-14-15(9-10)18-11(2)19-16(14)20(3)13-6-4-12(17)5-7-13;/h4-7,10H,8-9H2,1-3H3;1H
InChIKeyOPPFZXZSMACIOI-UHFFFAOYSA-N
XLogP4.36
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
2-N-benzyl-4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 697231
7-(2,4-Dichlorophenyl)-10-methyl-2-pentan-3-yl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
CID 9800613
7-(2,4-Dichlorophenyl)-2-heptan-4-yl-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
CID 10159031
2-(2,4-Dichlorophenyl)-10-methyl-7-pentan-3-yl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
CID 10178517
2-(2,4-Dichlorophenyl)-7-heptan-4-yl-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
CID 10180350
US9422297, Aag145-136
CID 25218337
N,2,6-trimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride
CID 73293729
1-N,1-N,4-N-trimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine
CID 122628505
1-N,4-N-dimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine
CID 122630788
N,2-dimethyl-N-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 73294109
7-(Cyclopropylmethyl)-2-(2,4-dichlorophenyl)-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
CID 10270806

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-(4-chlorophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride (CID 73293731) is N-(4-chlorophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-chlorophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-(4-chlorophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride is Cc1nc2c(c(N(C)c3ccc(Cl)cc3)n1)CC(C)C2.Cl.
What is the InChIKey of N-(4-chlorophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
The InChIKey is OPPFZXZSMACIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3.ClH/c1-10-8-14-15(9-10)18-11(2)19-16(14)20(3)13-6-4-12(17)5-7-13;/h4-7,10H,8-9H2,1-3H3;1H.
What are the key properties of N-(4-chlorophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
N-(4-chlorophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride has a molecular weight of 324.25 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 73293731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).