N'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine

C9H16N4O2 — CID 115355307

IUPACN'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
SMILESCOc1cc(OC)nc(N(C)CCN)n1
InChIInChI=1S/C9H16N4O2/c1-13(5-4-10)9-11-7(14-2)6-8(12-9)15-3/h6H,4-5,10H2,1-3H3
InChIKeyFPKOKYRWANJXHW-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.11
Rot. Bonds5

About N'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine

N'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 115355307) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
PubChem CID115355307
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
SMILESCOc1cc(OC)nc(N(C)CCN)n1
InChIInChI=1S/C9H16N4O2/c1-13(5-4-10)9-11-7(14-2)6-8(12-9)15-3/h6H,4-5,10H2,1-3H3
InChIKeyFPKOKYRWANJXHW-UHFFFAOYSA-N
XLogP-0.11
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.11
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'-methylethane-1,2-diamine?
The IUPAC name of N'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine (CID 115355307) is N'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine is COc1cc(OC)nc(N(C)CCN)n1.
What is the InChIKey of N'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is FPKOKYRWANJXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-13(5-4-10)9-11-7(14-2)6-8(12-9)15-3/h6H,4-5,10H2,1-3H3.
What are the key properties of N'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine?
N'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 212.25 g/mol, XLogP of -0.11, 5 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'-methylethane-1,2-diamine is sourced from PubChem (CID 115355307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).