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

C12H22N4O2 — CID 115355574

IUPACN'-(4,6-dimethoxypyrimidin-2-yl)-N-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC)c1nc(OC)cc(OC)n1
InChIInChI=1S/C12H22N4O2/c1-5-7-16(8-6-13-2)12-14-10(17-3)9-11(15-12)18-4/h9,13H,5-8H2,1-4H3
InChIKeyQQFYIUPQLQNOEZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.93
Rot. Bonds8

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

N'-(4,6-dimethoxypyrimidin-2-yl)-N-methyl-N'-propylethane-1,2-diamine (PubChem CID 115355574) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N'-(4,6-dimethoxypyrimidin-2-yl)-N-methyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4,6-dimethoxypyrimidin-2-yl)-N-methyl-N'-propylethane-1,2-diamine
PubChem CID115355574
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN'-(4,6-dimethoxypyrimidin-2-yl)-N-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC)c1nc(OC)cc(OC)n1
InChIInChI=1S/C12H22N4O2/c1-5-7-16(8-6-13-2)12-14-10(17-3)9-11(15-12)18-4/h9,13H,5-8H2,1-4H3
InChIKeyQQFYIUPQLQNOEZ-UHFFFAOYSA-N
XLogP0.93
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.93
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-methyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-(4,6-dimethoxypyrimidin-2-yl)-N-methyl-N'-propylethane-1,2-diamine (CID 115355574) is N'-(4,6-dimethoxypyrimidin-2-yl)-N-methyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-(4,6-dimethoxypyrimidin-2-yl)-N-methyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-(4,6-dimethoxypyrimidin-2-yl)-N-methyl-N'-propylethane-1,2-diamine is CCCN(CCNC)c1nc(OC)cc(OC)n1.
What is the InChIKey of N'-(4,6-dimethoxypyrimidin-2-yl)-N-methyl-N'-propylethane-1,2-diamine?
The InChIKey is QQFYIUPQLQNOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-7-16(8-6-13-2)12-14-10(17-3)9-11(15-12)18-4/h9,13H,5-8H2,1-4H3.
What are the key properties of N'-(4,6-dimethoxypyrimidin-2-yl)-N-methyl-N'-propylethane-1,2-diamine?
N'-(4,6-dimethoxypyrimidin-2-yl)-N-methyl-N'-propylethane-1,2-diamine has a molecular weight of 254.33 g/mol, XLogP of 0.93, 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-methyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 115355574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).