N'-(6-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine

C11H20N4O — CID 66318967

IUPACN'-(6-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)c1cc(OC)ncn1
InChIInChI=1S/C11H20N4O/c1-3-6-15(7-4-5-12)10-8-11(16-2)14-9-13-10/h8-9H,3-7,12H2,1-2H3
InChIKeyLLNNFLAFWKWPSS-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.05
Rot. Bonds7

About N'-(6-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine

N'-(6-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine (PubChem CID 66318967) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N'-(6-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine
PubChem CID66318967
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN'-(6-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)c1cc(OC)ncn1
InChIInChI=1S/C11H20N4O/c1-3-6-15(7-4-5-12)10-8-11(16-2)14-9-13-10/h8-9H,3-7,12H2,1-2H3
InChIKeyLLNNFLAFWKWPSS-UHFFFAOYSA-N
XLogP1.05
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(6-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(6-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine (CID 66318967) is N'-(6-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(6-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(6-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine is CCCN(CCCN)c1cc(OC)ncn1.
What is the InChIKey of N'-(6-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine?
The InChIKey is LLNNFLAFWKWPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-6-15(7-4-5-12)10-8-11(16-2)14-9-13-10/h8-9H,3-7,12H2,1-2H3.
What are the key properties of N'-(6-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine?
N'-(6-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 66318967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).