N'-(4,6-dimethoxypyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine

C13H24N4O2 — CID 115355774

IUPACN'-(4,6-dimethoxypyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCN)c1nc(OC)cc(OC)n1
InChIInChI=1S/C13H24N4O2/c1-5-10(6-2)17(8-7-14)13-15-11(18-3)9-12(16-13)19-4/h9-10H,5-8,14H2,1-4H3
InChIKeyPXVOWSPVGSHFCJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.45
Rot. Bonds8

About N'-(4,6-dimethoxypyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine

N'-(4,6-dimethoxypyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine (PubChem CID 115355774) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N'-(4,6-dimethoxypyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4,6-dimethoxypyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine
PubChem CID115355774
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN'-(4,6-dimethoxypyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCN)c1nc(OC)cc(OC)n1
InChIInChI=1S/C13H24N4O2/c1-5-10(6-2)17(8-7-14)13-15-11(18-3)9-12(16-13)19-4/h9-10H,5-8,14H2,1-4H3
InChIKeyPXVOWSPVGSHFCJ-UHFFFAOYSA-N
XLogP1.45
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethoxypyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N'-(4,6-dimethoxypyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine (CID 115355774) is N'-(4,6-dimethoxypyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-(4,6-dimethoxypyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N'-(4,6-dimethoxypyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine is CCC(CC)N(CCN)c1nc(OC)cc(OC)n1.
What is the InChIKey of N'-(4,6-dimethoxypyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine?
The InChIKey is PXVOWSPVGSHFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-10(6-2)17(8-7-14)13-15-11(18-3)9-12(16-13)19-4/h9-10H,5-8,14H2,1-4H3.
What are the key properties of N'-(4,6-dimethoxypyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine?
N'-(4,6-dimethoxypyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine has a molecular weight of 268.36 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethoxypyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 115355774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).