N'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine

C11H20N4O — CID 62586031

IUPACN'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCOc1ccnc(N(C)CCNC(C)C)n1
InChIInChI=1S/C11H20N4O/c1-9(2)12-7-8-15(3)11-13-6-5-10(14-11)16-4/h5-6,9,12H,7-8H2,1-4H3
InChIKeyBUYBAVLJWIYNKQ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.92
Rot. Bonds6

About N'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine

N'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 62586031) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
PubChem CID62586031
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCOc1ccnc(N(C)CCNC(C)C)n1
InChIInChI=1S/C11H20N4O/c1-9(2)12-7-8-15(3)11-13-6-5-10(14-11)16-4/h5-6,9,12H,7-8H2,1-4H3
InChIKeyBUYBAVLJWIYNKQ-UHFFFAOYSA-N
XLogP0.92
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine (CID 62586031) is N'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine is COc1ccnc(N(C)CCNC(C)C)n1.
What is the InChIKey of N'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is BUYBAVLJWIYNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(2)12-7-8-15(3)11-13-6-5-10(14-11)16-4/h5-6,9,12H,7-8H2,1-4H3.
What are the key properties of N'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
N'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 224.31 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62586031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).