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

C12H22N4O3 — CID 115355108

IUPACN-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNc1nc(OC)cc(OC)n1
InChIInChI=1S/C12H22N4O3/c1-16(7-8-17-2)6-5-13-12-14-10(18-3)9-11(15-12)19-4/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyPOEZFABYCYLYKJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.48
Rot. Bonds9

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

N-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 115355108) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID115355108
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC NameN-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNc1nc(OC)cc(OC)n1
InChIInChI=1S/C12H22N4O3/c1-16(7-8-17-2)6-5-13-12-14-10(18-3)9-11(15-12)19-4/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyPOEZFABYCYLYKJ-UHFFFAOYSA-N
XLogP0.48
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 115974987
4-N-ethyl-6-methoxy-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 80825059
N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 113292899
N'-cyclopropyl-N-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 115355111
6-chloro-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80824728
4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine
CID 115749068
2-N,2-N-diethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80804891
N'-(2-methoxyethyl)-N'-methyl-N-quinazolin-2-ylethane-1,2-diamine
CID 114789069
N-butyl-4,6-dimethoxypyrimidin-2-amine
CID 19737713
6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80958688
N'-(2-methoxyethyl)-N'-methyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 55126677
N,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 166233772

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 115355108) is N-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCN(C)CCNc1nc(OC)cc(OC)n1.
What is the InChIKey of N-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is POEZFABYCYLYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-16(7-8-17-2)6-5-13-12-14-10(18-3)9-11(15-12)19-4/h9H,5-8H2,1-4H3,(H,13,14,15).
What are the key properties of N-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 270.33 g/mol, XLogP of 0.48, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115355108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).