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

C14H24N4 — CID 62831516

IUPAC2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)Nc1ncnc2c1CCC2
InChIInChI=1S/C14H24N4/c1-4-18(5-2)9-11(3)17-14-12-7-6-8-13(12)15-10-16-14/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyDSSDXQNAFLIPND-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.11
Rot. Bonds6

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

2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine (PubChem CID 62831516) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
PubChem CID62831516
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)Nc1ncnc2c1CCC2
InChIInChI=1S/C14H24N4/c1-4-18(5-2)9-11(3)17-14-12-7-6-8-13(12)15-10-16-14/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyDSSDXQNAFLIPND-UHFFFAOYSA-N
XLogP2.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The IUPAC name of 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine (CID 62831516) is 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine is CCN(CC)CC(C)Nc1ncnc2c1CCC2.
What is the InChIKey of 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The InChIKey is DSSDXQNAFLIPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-18(5-2)9-11(3)17-14-12-7-6-8-13(12)15-10-16-14/h10-11H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine?
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine is sourced from PubChem (CID 62831516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).