N-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine

C14H23ClN4 — CID 82460678

IUPACN-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1nc(Cl)nc2c1CCC2
InChIInChI=1S/C14H23ClN4/c1-3-19(4-2)10-6-9-16-13-11-7-5-8-12(11)17-14(15)18-13/h3-10H2,1-2H3,(H,16,17,18)
InChIKeyOBCSUDBPJFGCHN-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.76
Rot. Bonds7

About N-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine

N-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 82460678) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is N-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
PubChem CID82460678
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC NameN-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1nc(Cl)nc2c1CCC2
InChIInChI=1S/C14H23ClN4/c1-3-19(4-2)10-6-9-16-13-11-7-5-8-12(11)17-14(15)18-13/h3-10H2,1-2H3,(H,16,17,18)
InChIKeyOBCSUDBPJFGCHN-UHFFFAOYSA-N
XLogP2.76
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine (CID 82460678) is N-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNc1nc(Cl)nc2c1CCC2.
What is the InChIKey of N-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is OBCSUDBPJFGCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-3-19(4-2)10-6-9-16-13-11-7-5-8-12(11)17-14(15)18-13/h3-10H2,1-2H3,(H,16,17,18).
What are the key properties of N-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
N-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 282.82 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 82460678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).