1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine

C11H20N4O — CID 106127472

IUPAC1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine
SMILESCOc1cc(NCCCC(C)N)nc(C)n1
InChIInChI=1S/C11H20N4O/c1-8(12)5-4-6-13-10-7-11(16-3)15-9(2)14-10/h7-8H,4-6,12H2,1-3H3,(H,13,14,15)
InChIKeyPCIDBSUSUCQGGJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.33
Rot. Bonds6

About 1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine

1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine (PubChem CID 106127472) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine
PubChem CID106127472
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine
SMILESCOc1cc(NCCCC(C)N)nc(C)n1
InChIInChI=1S/C11H20N4O/c1-8(12)5-4-6-13-10-7-11(16-3)15-9(2)14-10/h7-8H,4-6,12H2,1-3H3,(H,13,14,15)
InChIKeyPCIDBSUSUCQGGJ-UHFFFAOYSA-N
XLogP1.33
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.33
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

1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine
CID 106127490
6-methoxy-2-methyl-N-octylpyrimidin-4-amine
CID 113337456
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]ethanol
CID 66325251
N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66332895
6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 66327743
N-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66325089
N-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331858
5-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 113440784
6-methoxy-N-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpyrimidin-4-amine
CID 121013131
6-methoxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
CID 106431054
3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 114177062
2-N-(6-methoxy-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine
CID 113284026

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine?
The IUPAC name of 1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine (CID 106127472) is 1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine is COc1cc(NCCCC(C)N)nc(C)n1.
What is the InChIKey of 1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine?
The InChIKey is PCIDBSUSUCQGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(12)5-4-6-13-10-7-11(16-3)15-9(2)14-10/h7-8H,4-6,12H2,1-3H3,(H,13,14,15).
What are the key properties of 1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine?
1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine is sourced from PubChem (CID 106127472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).