N'-(6-ethoxy-5-methylpyrimidin-4-yl)-N'-ethylpropane-1,3-diamine

C12H22N4O — CID 66325128

IUPACN'-(6-ethoxy-5-methylpyrimidin-4-yl)-N'-ethylpropane-1,3-diamine
SMILESCCOc1ncnc(N(CC)CCCN)c1C
InChIInChI=1S/C12H22N4O/c1-4-16(8-6-7-13)11-10(3)12(17-5-2)15-9-14-11/h9H,4-8,13H2,1-3H3
InChIKeyVXAGPINHBJZBEQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.36
Rot. Bonds7

About N'-(6-ethoxy-5-methylpyrimidin-4-yl)-N'-ethylpropane-1,3-diamine

N'-(6-ethoxy-5-methylpyrimidin-4-yl)-N'-ethylpropane-1,3-diamine (PubChem CID 66325128) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-(6-ethoxy-5-methylpyrimidin-4-yl)-N'-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-ethoxy-5-methylpyrimidin-4-yl)-N'-ethylpropane-1,3-diamine
PubChem CID66325128
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN'-(6-ethoxy-5-methylpyrimidin-4-yl)-N'-ethylpropane-1,3-diamine
SMILESCCOc1ncnc(N(CC)CCCN)c1C
InChIInChI=1S/C12H22N4O/c1-4-16(8-6-7-13)11-10(3)12(17-5-2)15-9-14-11/h9H,4-8,13H2,1-3H3
InChIKeyVXAGPINHBJZBEQ-UHFFFAOYSA-N
XLogP1.36
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(6-ethoxy-5-methylpyrimidin-4-yl)-N'-ethylpropane-1,3-diamine?
The IUPAC name of N'-(6-ethoxy-5-methylpyrimidin-4-yl)-N'-ethylpropane-1,3-diamine (CID 66325128) is N'-(6-ethoxy-5-methylpyrimidin-4-yl)-N'-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-(6-ethoxy-5-methylpyrimidin-4-yl)-N'-ethylpropane-1,3-diamine?
The canonical SMILES for N'-(6-ethoxy-5-methylpyrimidin-4-yl)-N'-ethylpropane-1,3-diamine is CCOc1ncnc(N(CC)CCCN)c1C.
What is the InChIKey of N'-(6-ethoxy-5-methylpyrimidin-4-yl)-N'-ethylpropane-1,3-diamine?
The InChIKey is VXAGPINHBJZBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-16(8-6-7-13)11-10(3)12(17-5-2)15-9-14-11/h9H,4-8,13H2,1-3H3.
What are the key properties of N'-(6-ethoxy-5-methylpyrimidin-4-yl)-N'-ethylpropane-1,3-diamine?
N'-(6-ethoxy-5-methylpyrimidin-4-yl)-N'-ethylpropane-1,3-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-ethoxy-5-methylpyrimidin-4-yl)-N'-ethylpropane-1,3-diamine is sourced from PubChem (CID 66325128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).