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

C13H22N4 — CID 62832825

IUPACN'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN)c1ncnc2c1CCC2
InChIInChI=1S/C13H22N4/c1-10(2)8-17(7-6-14)13-11-4-3-5-12(11)15-9-16-13/h9-10H,3-8,14H2,1-2H3
InChIKeyUDNYOFJNWTWXQW-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.39
Rot. Bonds5

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

N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62832825) 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'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62832825
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN)c1ncnc2c1CCC2
InChIInChI=1S/C13H22N4/c1-10(2)8-17(7-6-14)13-11-4-3-5-12(11)15-9-16-13/h9-10H,3-8,14H2,1-2H3
InChIKeyUDNYOFJNWTWXQW-UHFFFAOYSA-N
XLogP1.39
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.39
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'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine (CID 62832825) is N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCN)c1ncnc2c1CCC2.
What is the InChIKey of N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is UDNYOFJNWTWXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10(2)8-17(7-6-14)13-11-4-3-5-12(11)15-9-16-13/h9-10H,3-8,14H2,1-2H3.
What are the key properties of N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.39, 5 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'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62832825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).