N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N'-methylpropane-1,3-diamine

C11H18N4 — CID 83833504

IUPACN'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1ncc2c(n1)CCC2
InChIInChI=1S/C11H18N4/c1-15(7-3-6-12)11-13-8-9-4-2-5-10(9)14-11/h8H,2-7,12H2,1H3
InChIKeyPRVSKIBRZDLJEE-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.75
Rot. Bonds4

About N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N'-methylpropane-1,3-diamine

N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N'-methylpropane-1,3-diamine (PubChem CID 83833504) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N'-methylpropane-1,3-diamine
PubChem CID83833504
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC NameN'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1ncc2c(n1)CCC2
InChIInChI=1S/C11H18N4/c1-15(7-3-6-12)11-13-8-9-4-2-5-10(9)14-11/h8H,2-7,12H2,1H3
InChIKeyPRVSKIBRZDLJEE-UHFFFAOYSA-N
XLogP0.75
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.75
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-2-yl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N'-methylpropane-1,3-diamine (CID 83833504) is N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N'-methylpropane-1,3-diamine is CN(CCCN)c1ncc2c(n1)CCC2.
What is the InChIKey of N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is PRVSKIBRZDLJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-15(7-3-6-12)11-13-8-9-4-2-5-10(9)14-11/h8H,2-7,12H2,1H3.
What are the key properties of N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N'-methylpropane-1,3-diamine?
N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 206.29 g/mol, XLogP of 0.75, 4 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-2-yl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 83833504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).