N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine

C9H15ClN4O — CID 80758625

IUPACN'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1nc(OC)ncc1Cl
InChIInChI=1S/C9H15ClN4O/c1-11-4-5-14(2)8-7(10)6-12-9(13-8)15-3/h6,11H,4-5H2,1-3H3
InChIKeyVDYKDFPTLYBGHG-UHFFFAOYSA-N
MW230.70 g/mol
LogP0.79
Rot. Bonds5

About N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine

N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 80758625) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine
PubChem CID80758625
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC NameN'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1nc(OC)ncc1Cl
InChIInChI=1S/C9H15ClN4O/c1-11-4-5-14(2)8-7(10)6-12-9(13-8)15-3/h6,11H,4-5H2,1-3H3
InChIKeyVDYKDFPTLYBGHG-UHFFFAOYSA-N
XLogP0.79
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine (CID 80758625) is N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine is CNCCN(C)c1nc(OC)ncc1Cl.
What is the InChIKey of N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is VDYKDFPTLYBGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-11-4-5-14(2)8-7(10)6-12-9(13-8)15-3/h6,11H,4-5H2,1-3H3.
What are the key properties of N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine?
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 230.70 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 80758625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).