N'-(6-ethoxy-2-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine

C16H22N4O — CID 66333111

IUPACN'-(6-ethoxy-2-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine
SMILESCCOc1cc(N(CCCN)c2ccccc2)nc(C)n1
InChIInChI=1S/C16H22N4O/c1-3-21-16-12-15(18-13(2)19-16)20(11-7-10-17)14-8-5-4-6-9-14/h4-6,8-9,12H,3,7,10-11,17H2,1-2H3
InChIKeyFJLGCSYPTVUQCJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.67
Rot. Bonds7

About N'-(6-ethoxy-2-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine

N'-(6-ethoxy-2-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine (PubChem CID 66333111) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N'-(6-ethoxy-2-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-ethoxy-2-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine
PubChem CID66333111
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN'-(6-ethoxy-2-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine
SMILESCCOc1cc(N(CCCN)c2ccccc2)nc(C)n1
InChIInChI=1S/C16H22N4O/c1-3-21-16-12-15(18-13(2)19-16)20(11-7-10-17)14-8-5-4-6-9-14/h4-6,8-9,12H,3,7,10-11,17H2,1-2H3
InChIKeyFJLGCSYPTVUQCJ-UHFFFAOYSA-N
XLogP2.67
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(6-ethoxy-2-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine?
The IUPAC name of N'-(6-ethoxy-2-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine (CID 66333111) is N'-(6-ethoxy-2-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(6-ethoxy-2-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(6-ethoxy-2-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine is CCOc1cc(N(CCCN)c2ccccc2)nc(C)n1.
What is the InChIKey of N'-(6-ethoxy-2-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine?
The InChIKey is FJLGCSYPTVUQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-21-16-12-15(18-13(2)19-16)20(11-7-10-17)14-8-5-4-6-9-14/h4-6,8-9,12H,3,7,10-11,17H2,1-2H3.
What are the key properties of N'-(6-ethoxy-2-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine?
N'-(6-ethoxy-2-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-ethoxy-2-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 66333111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).