N'-phenyl-N'-(6-propoxypyrimidin-4-yl)propane-1,3-diamine

C16H22N4O — CID 66332580

IUPACN'-phenyl-N'-(6-propoxypyrimidin-4-yl)propane-1,3-diamine
SMILESCCCOc1cc(N(CCCN)c2ccccc2)ncn1
InChIInChI=1S/C16H22N4O/c1-2-11-21-16-12-15(18-13-19-16)20(10-6-9-17)14-7-4-3-5-8-14/h3-5,7-8,12-13H,2,6,9-11,17H2,1H3
InChIKeyMLXLNKLIOMXDLR-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.75
Rot. Bonds8

About N'-phenyl-N'-(6-propoxypyrimidin-4-yl)propane-1,3-diamine

N'-phenyl-N'-(6-propoxypyrimidin-4-yl)propane-1,3-diamine (PubChem CID 66332580) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N'-phenyl-N'-(6-propoxypyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-phenyl-N'-(6-propoxypyrimidin-4-yl)propane-1,3-diamine
PubChem CID66332580
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN'-phenyl-N'-(6-propoxypyrimidin-4-yl)propane-1,3-diamine
SMILESCCCOc1cc(N(CCCN)c2ccccc2)ncn1
InChIInChI=1S/C16H22N4O/c1-2-11-21-16-12-15(18-13-19-16)20(10-6-9-17)14-7-4-3-5-8-14/h3-5,7-8,12-13H,2,6,9-11,17H2,1H3
InChIKeyMLXLNKLIOMXDLR-UHFFFAOYSA-N
XLogP2.75
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2-aminoethyl)-N'-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine
CID 66333205
N'-(6-ethoxy-2-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine
CID 66333111
N'-(6-propoxypyrimidin-4-yl)-N'-propylethane-1,2-diamine
CID 66333622
N-[3-(aminomethyl)phenyl]-N-methyl-6-propoxypyrimidin-4-amine
CID 66334203
N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine
CID 106503634
N'-(6-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine
CID 66318967
N'-(2-fluorophenyl)-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine
CID 61240901
N'-(6-ethoxy-2-pyridinyl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 63590009
N-(2-chloroethyl)-6-propoxy-N-propylpyrimidin-4-amine
CID 66333214
N'-(3-methylpyrazin-2-yl)-N'-phenylpropane-1,3-diamine
CID 83063866
N'-(6-ethoxy-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
CID 63589833
2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
CID 66333585

Frequently Asked Questions

What is the IUPAC name of N'-phenyl-N'-(6-propoxypyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-phenyl-N'-(6-propoxypyrimidin-4-yl)propane-1,3-diamine (CID 66332580) is N'-phenyl-N'-(6-propoxypyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-phenyl-N'-(6-propoxypyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-phenyl-N'-(6-propoxypyrimidin-4-yl)propane-1,3-diamine is CCCOc1cc(N(CCCN)c2ccccc2)ncn1.
What is the InChIKey of N'-phenyl-N'-(6-propoxypyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is MLXLNKLIOMXDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-11-21-16-12-15(18-13-19-16)20(10-6-9-17)14-7-4-3-5-8-14/h3-5,7-8,12-13H,2,6,9-11,17H2,1H3.
What are the key properties of N'-phenyl-N'-(6-propoxypyrimidin-4-yl)propane-1,3-diamine?
N'-phenyl-N'-(6-propoxypyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-N'-(6-propoxypyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 66332580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).