N'-ethyl-2,2-dimethyl-N'-(6-methylpyrimidin-4-yl)propane-1,3-diamine

C12H22N4 — CID 79662174

IUPACN'-ethyl-2,2-dimethyl-N'-(6-methylpyrimidin-4-yl)propane-1,3-diamine
SMILESCCN(CC(C)(C)CN)c1cc(C)ncn1
InChIInChI=1S/C12H22N4/c1-5-16(8-12(3,4)7-13)11-6-10(2)14-9-15-11/h6,9H,5,7-8,13H2,1-4H3
InChIKeyYIQAOAAVBVMHFM-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.60
Rot. Bonds5

About N'-ethyl-2,2-dimethyl-N'-(6-methylpyrimidin-4-yl)propane-1,3-diamine

N'-ethyl-2,2-dimethyl-N'-(6-methylpyrimidin-4-yl)propane-1,3-diamine (PubChem CID 79662174) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N'-ethyl-2,2-dimethyl-N'-(6-methylpyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-dimethyl-N'-(6-methylpyrimidin-4-yl)propane-1,3-diamine
PubChem CID79662174
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN'-ethyl-2,2-dimethyl-N'-(6-methylpyrimidin-4-yl)propane-1,3-diamine
SMILESCCN(CC(C)(C)CN)c1cc(C)ncn1
InChIInChI=1S/C12H22N4/c1-5-16(8-12(3,4)7-13)11-6-10(2)14-9-15-11/h6,9H,5,7-8,13H2,1-4H3
InChIKeyYIQAOAAVBVMHFM-UHFFFAOYSA-N
XLogP1.60
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-dimethyl-N'-(6-methylpyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-dimethyl-N'-(6-methylpyrimidin-4-yl)propane-1,3-diamine (CID 79662174) is N'-ethyl-2,2-dimethyl-N'-(6-methylpyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-dimethyl-N'-(6-methylpyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-dimethyl-N'-(6-methylpyrimidin-4-yl)propane-1,3-diamine is CCN(CC(C)(C)CN)c1cc(C)ncn1.
What is the InChIKey of N'-ethyl-2,2-dimethyl-N'-(6-methylpyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is YIQAOAAVBVMHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-16(8-12(3,4)7-13)11-6-10(2)14-9-15-11/h6,9H,5,7-8,13H2,1-4H3.
What are the key properties of N'-ethyl-2,2-dimethyl-N'-(6-methylpyrimidin-4-yl)propane-1,3-diamine?
N'-ethyl-2,2-dimethyl-N'-(6-methylpyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-dimethyl-N'-(6-methylpyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 79662174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).