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

C16H20N4 — CID 62831676

IUPACN'-benzyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)c1ncnc2c1CCC2
InChIInChI=1S/C16H20N4/c17-9-10-20(11-13-5-2-1-3-6-13)16-14-7-4-8-15(14)18-12-19-16/h1-3,5-6,12H,4,7-11,17H2
InChIKeyRMADYPVNOMZMAH-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.93
Rot. Bonds5

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

N'-benzyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 62831676) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N'-benzyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID62831676
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN'-benzyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)c1ncnc2c1CCC2
InChIInChI=1S/C16H20N4/c17-9-10-20(11-13-5-2-1-3-6-13)16-14-7-4-8-15(14)18-12-19-16/h1-3,5-6,12H,4,7-11,17H2
InChIKeyRMADYPVNOMZMAH-UHFFFAOYSA-N
XLogP1.93
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine (CID 62831676) is N'-benzyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine is NCCN(Cc1ccccc1)c1ncnc2c1CCC2.
What is the InChIKey of N'-benzyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is RMADYPVNOMZMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c17-9-10-20(11-13-5-2-1-3-6-13)16-14-7-4-8-15(14)18-12-19-16/h1-3,5-6,12H,4,7-11,17H2.
What are the key properties of N'-benzyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine?
N'-benzyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 268.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 62831676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).