N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylethane-1,2-diamine

C12H22N4 — CID 734465

IUPACN-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1nc(C)cc(C)n1
InChIInChI=1S/C12H22N4/c1-5-16(6-2)8-7-13-12-14-10(3)9-11(4)15-12/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyKTJAHULDOTXWQZ-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.85
Rot. Bonds6

About N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylethane-1,2-diamine

N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 734465) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID734465
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1nc(C)cc(C)n1
InChIInChI=1S/C12H22N4/c1-5-16(6-2)8-7-13-12-14-10(3)9-11(4)15-12/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyKTJAHULDOTXWQZ-UHFFFAOYSA-N
XLogP1.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylethane-1,2-diamine (CID 734465) is N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1nc(C)cc(C)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is KTJAHULDOTXWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-16(6-2)8-7-13-12-14-10(3)9-11(4)15-12/h9H,5-8H2,1-4H3,(H,13,14,15).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylethane-1,2-diamine?
N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 734465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).