N-(5-methoxypyrimidin-2-yl)-N',N'-dimethylbutane-1,4-diamine

C11H20N4O — CID 114600534

IUPACN-(5-methoxypyrimidin-2-yl)-N',N'-dimethylbutane-1,4-diamine
SMILESCOc1cnc(NCCCCN(C)C)nc1
InChIInChI=1S/C11H20N4O/c1-15(2)7-5-4-6-12-11-13-8-10(16-3)9-14-11/h8-9H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyJFTRXWRZJQHMRJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.24
Rot. Bonds7

About N-(5-methoxypyrimidin-2-yl)-N',N'-dimethylbutane-1,4-diamine

N-(5-methoxypyrimidin-2-yl)-N',N'-dimethylbutane-1,4-diamine (PubChem CID 114600534) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(5-methoxypyrimidin-2-yl)-N',N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(5-methoxypyrimidin-2-yl)-N',N'-dimethylbutane-1,4-diamine
PubChem CID114600534
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(5-methoxypyrimidin-2-yl)-N',N'-dimethylbutane-1,4-diamine
SMILESCOc1cnc(NCCCCN(C)C)nc1
InChIInChI=1S/C11H20N4O/c1-15(2)7-5-4-6-12-11-13-8-10(16-3)9-14-11/h8-9H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyJFTRXWRZJQHMRJ-UHFFFAOYSA-N
XLogP1.24
TPSA50.28 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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypyrimidin-2-yl)-N',N'-dimethylbutane-1,4-diamine?
The IUPAC name of N-(5-methoxypyrimidin-2-yl)-N',N'-dimethylbutane-1,4-diamine (CID 114600534) is N-(5-methoxypyrimidin-2-yl)-N',N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-(5-methoxypyrimidin-2-yl)-N',N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N-(5-methoxypyrimidin-2-yl)-N',N'-dimethylbutane-1,4-diamine is COc1cnc(NCCCCN(C)C)nc1.
What is the InChIKey of N-(5-methoxypyrimidin-2-yl)-N',N'-dimethylbutane-1,4-diamine?
The InChIKey is JFTRXWRZJQHMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-15(2)7-5-4-6-12-11-13-8-10(16-3)9-14-11/h8-9H,4-7H2,1-3H3,(H,12,13,14).
What are the key properties of N-(5-methoxypyrimidin-2-yl)-N',N'-dimethylbutane-1,4-diamine?
N-(5-methoxypyrimidin-2-yl)-N',N'-dimethylbutane-1,4-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypyrimidin-2-yl)-N',N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 114600534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).