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

C9H14N4O — CID 83830731

IUPACN'-(5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1ncnc2c1COC2
InChIInChI=1S/C9H14N4O/c1-13(3-2-10)9-7-4-14-5-8(7)11-6-12-9/h6H,2-5,10H2,1H3
InChIKeyWLHVIRSSVDCROM-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.10
Rot. Bonds3

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

N'-(5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)-N'-methylethane-1,2-diamine (PubChem CID 83830731) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N'-(5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)-N'-methylethane-1,2-diamine
PubChem CID83830731
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN'-(5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1ncnc2c1COC2
InChIInChI=1S/C9H14N4O/c1-13(3-2-10)9-7-4-14-5-8(7)11-6-12-9/h6H,2-5,10H2,1H3
InChIKeyWLHVIRSSVDCROM-UHFFFAOYSA-N
XLogP-0.10
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)-N'-methylethane-1,2-diamine (CID 83830731) is N'-(5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)-N'-methylethane-1,2-diamine is CN(CCN)c1ncnc2c1COC2.
What is the InChIKey of N'-(5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The InChIKey is WLHVIRSSVDCROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-13(3-2-10)9-7-4-14-5-8(7)11-6-12-9/h6H,2-5,10H2,1H3.
What are the key properties of N'-(5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)-N'-methylethane-1,2-diamine?
N'-(5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)-N'-methylethane-1,2-diamine has a molecular weight of 194.24 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 83830731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).