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

C13H20N4 — CID 102874680

IUPACN'-cyclobutyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESNCCN(c1ncnc2c1CCC2)C1CCC1
InChIInChI=1S/C13H20N4/c14-7-8-17(10-3-1-4-10)13-11-5-2-6-12(11)15-9-16-13/h9-10H,1-8,14H2
InChIKeyUSJKSHDZFBYFTD-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.28
Rot. Bonds4

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

N'-cyclobutyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 102874680) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N'-cyclobutyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID102874680
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN'-cyclobutyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESNCCN(c1ncnc2c1CCC2)C1CCC1
InChIInChI=1S/C13H20N4/c14-7-8-17(10-3-1-4-10)13-11-5-2-6-12(11)15-9-16-13/h9-10H,1-8,14H2
InChIKeyUSJKSHDZFBYFTD-UHFFFAOYSA-N
XLogP1.28
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cycloheptyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine
CID 62833493
N-(2-bromoethyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 80668669
2-[cyclobutyl(5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol
CID 102675231
N-(2-bromoethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 80667019
N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-ethylethane-1,2-diamine
CID 63766436
2-[cyclopropyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetic acid
CID 62832412
N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 62832603
N'-benzyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 62831676
N'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine
CID 102874836
N-(2-bromoethyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 80672902
N-(piperidin-4-ylmethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 79719326
N-cyclopentyl-N-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223559

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclobutyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine (CID 102874680) is N'-cyclobutyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclobutyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclobutyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine is NCCN(c1ncnc2c1CCC2)C1CCC1.
What is the InChIKey of N'-cyclobutyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is USJKSHDZFBYFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c14-7-8-17(10-3-1-4-10)13-11-5-2-6-12(11)15-9-16-13/h9-10H,1-8,14H2.
What are the key properties of N'-cyclobutyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine?
N'-cyclobutyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 102874680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).