2-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylethanamine

C11H16ClN3 — CID 115345603

IUPAC2-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1nc(Cl)c2c(n1)CCC2
InChIInChI=1S/C11H16ClN3/c1-15(2)7-6-10-13-9-5-3-4-8(9)11(12)14-10/h3-7H2,1-2H3
InChIKeyFORFRTYAKCREBH-UHFFFAOYSA-N
MW225.72 g/mol
LogP1.72
Rot. Bonds3

About 2-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylethanamine

2-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylethanamine (PubChem CID 115345603) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylethanamine
PubChem CID115345603
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name2-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1nc(Cl)c2c(n1)CCC2
InChIInChI=1S/C11H16ClN3/c1-15(2)7-6-10-13-9-5-3-4-8(9)11(12)14-10/h3-7H2,1-2H3
InChIKeyFORFRTYAKCREBH-UHFFFAOYSA-N
XLogP1.72
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylmethanamine
CID 79078275
4-chloro-2-(2,2-dimethylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 63891705
4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350986
2-[2-(dimethylamino)ethyl]-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 115347019
4-chloro-2-(3-methoxypropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 65095175
4-chloro-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61392950
4-chloro-N-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 94674621
4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline
CID 102927204
4-chloro-N,N-diethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 61382065
4-chloro-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61382087
4-chloro-2-[(3,4-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 55131237
4-chloro-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61382080

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylethanamine (CID 115345603) is 2-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylethanamine is CN(C)CCc1nc(Cl)c2c(n1)CCC2.
What is the InChIKey of 2-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylethanamine?
The InChIKey is FORFRTYAKCREBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-15(2)7-6-10-13-9-5-3-4-8(9)11(12)14-10/h3-7H2,1-2H3.
What are the key properties of 2-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylethanamine?
2-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylethanamine has a molecular weight of 225.72 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 115345603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).