N'-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propane-1,3-diamine

C11H18N4O — CID 83838853

IUPACN'-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propane-1,3-diamine
SMILESCOc1nc(NCCCN)nc2c1CCC2
InChIInChI=1S/C11H18N4O/c1-16-10-8-4-2-5-9(8)14-11(15-10)13-7-3-6-12/h2-7,12H2,1H3,(H,13,14,15)
InChIKeyWTXXJDRLKUWFNC-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.73
Rot. Bonds5

About N'-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propane-1,3-diamine

N'-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propane-1,3-diamine (PubChem CID 83838853) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N'-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propane-1,3-diamine
PubChem CID83838853
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN'-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propane-1,3-diamine
SMILESCOc1nc(NCCCN)nc2c1CCC2
InChIInChI=1S/C11H18N4O/c1-16-10-8-4-2-5-9(8)14-11(15-10)13-7-3-6-12/h2-7,12H2,1H3,(H,13,14,15)
InChIKeyWTXXJDRLKUWFNC-UHFFFAOYSA-N
XLogP0.73
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propane-1,3-diamine?
The IUPAC name of N'-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propane-1,3-diamine (CID 83838853) is N'-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propane-1,3-diamine is COc1nc(NCCCN)nc2c1CCC2.
What is the InChIKey of N'-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propane-1,3-diamine?
The InChIKey is WTXXJDRLKUWFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-16-10-8-4-2-5-9(8)14-11(15-10)13-7-3-6-12/h2-7,12H2,1H3,(H,13,14,15).
What are the key properties of N'-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propane-1,3-diamine?
N'-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propane-1,3-diamine has a molecular weight of 222.29 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 83838853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).