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

C13H22N4 — CID 53192848

IUPACN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ncnc2c1CCC2
InChIInChI=1S/C13H22N4/c1-3-17(4-2)9-8-14-13-11-6-5-7-12(11)15-10-16-13/h10H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyGIXLZJIBYBTLTI-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.72
Rot. Bonds6

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

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 53192848) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID53192848
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ncnc2c1CCC2
InChIInChI=1S/C13H22N4/c1-3-17(4-2)9-8-14-13-11-6-5-7-12(11)15-10-16-13/h10H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyGIXLZJIBYBTLTI-UHFFFAOYSA-N
XLogP1.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine (CID 53192848) is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1ncnc2c1CCC2.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is GIXLZJIBYBTLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-17(4-2)9-8-14-13-11-6-5-7-12(11)15-10-16-13/h10H,3-9H2,1-2H3,(H,14,15,16).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine?
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 53192848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).