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

C10H16N4O2 — CID 83839420

IUPACN'-(4-methoxy-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)propane-1,3-diamine
SMILESCOc1nc(NCCCN)nc2c1COC2
InChIInChI=1S/C10H16N4O2/c1-15-9-7-5-16-6-8(7)13-10(14-9)12-4-2-3-11/h2-6,11H2,1H3,(H,12,13,14)
InChIKeyNEGFNOHSMPEIMG-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.28
Rot. Bonds5

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

N'-(4-methoxy-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)propane-1,3-diamine (PubChem CID 83839420) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N'-(4-methoxy-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methoxy-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)propane-1,3-diamine
PubChem CID83839420
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN'-(4-methoxy-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)propane-1,3-diamine
SMILESCOc1nc(NCCCN)nc2c1COC2
InChIInChI=1S/C10H16N4O2/c1-15-9-7-5-16-6-8(7)13-10(14-9)12-4-2-3-11/h2-6,11H2,1H3,(H,12,13,14)
InChIKeyNEGFNOHSMPEIMG-UHFFFAOYSA-N
XLogP0.28
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)propane-1,3-diamine?
The IUPAC name of N'-(4-methoxy-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)propane-1,3-diamine (CID 83839420) is N'-(4-methoxy-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-methoxy-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-(4-methoxy-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)propane-1,3-diamine is COc1nc(NCCCN)nc2c1COC2.
What is the InChIKey of N'-(4-methoxy-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)propane-1,3-diamine?
The InChIKey is NEGFNOHSMPEIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-15-9-7-5-16-6-8(7)13-10(14-9)12-4-2-3-11/h2-6,11H2,1H3,(H,12,13,14).
What are the key properties of N'-(4-methoxy-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)propane-1,3-diamine?
N'-(4-methoxy-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)propane-1,3-diamine has a molecular weight of 224.26 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxy-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 83839420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).