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

C8H14N4O — CID 66318519

IUPACN'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
SMILESCOc1cc(NCCCN)ncn1
InChIInChI=1S/C8H14N4O/c1-13-8-5-7(11-6-12-8)10-4-2-3-9/h5-6H,2-4,9H2,1H3,(H,10,11,12)
InChIKeyWFGJKOJLNOFPQJ-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.25
Rot. Bonds5

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

N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine (PubChem CID 66318519) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
PubChem CID66318519
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
SMILESCOc1cc(NCCCN)ncn1
InChIInChI=1S/C8H14N4O/c1-13-8-5-7(11-6-12-8)10-4-2-3-9/h5-6H,2-4,9H2,1H3,(H,10,11,12)
InChIKeyWFGJKOJLNOFPQJ-UHFFFAOYSA-N
XLogP0.25
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorobutyl)-6-methoxypyrimidin-4-amine
CID 106845025
N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine
CID 107846090
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66325776
N'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine
CID 115366138
1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine
CID 115303807
N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine
CID 61234752
6-methoxy-N-pent-3-ynylpyrimidin-4-amine
CID 116644427
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633
N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240160
6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 82453533
N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66324768

Frequently Asked Questions

What is the IUPAC name of N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine (CID 66318519) is N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine is COc1cc(NCCCN)ncn1.
What is the InChIKey of N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is WFGJKOJLNOFPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-13-8-5-7(11-6-12-8)10-4-2-3-9/h5-6H,2-4,9H2,1H3,(H,10,11,12).
What are the key properties of N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine?
N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 182.23 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 66318519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).