N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine

C13H24N4O — CID 66328807

IUPACN',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine
SMILESCCCOc1cc(NCCCCN(C)C)ncn1
InChIInChI=1S/C13H24N4O/c1-4-9-18-13-10-12(15-11-16-13)14-7-5-6-8-17(2)3/h10-11H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyHGNUEKOKLOSLFZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.02
Rot. Bonds9

About N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine

N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine (PubChem CID 66328807) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine
PubChem CID66328807
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine
SMILESCCCOc1cc(NCCCCN(C)C)ncn1
InChIInChI=1S/C13H24N4O/c1-4-9-18-13-10-12(15-11-16-13)14-7-5-6-8-17(2)3/h10-11H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyHGNUEKOKLOSLFZ-UHFFFAOYSA-N
XLogP2.02
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.02
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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Related Compounds

N-(5-methylhexyl)-6-propoxypyrimidin-4-amine
CID 115326257
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958
N-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine
CID 106308236
N',N'-dimethyl-N-(2-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine
CID 82454010
N',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine
CID 82454095
N-pent-3-ynyl-6-propoxypyrimidin-4-amine
CID 116644597
N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456457
N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine
CID 66329980
1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine
CID 66328407
N-[2-(3,5-difluorophenyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66329398
N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 61233848
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66325776

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine?
The IUPAC name of N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine (CID 66328807) is N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine?
The canonical SMILES for N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine is CCCOc1cc(NCCCCN(C)C)ncn1.
What is the InChIKey of N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine?
The InChIKey is HGNUEKOKLOSLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-9-18-13-10-12(15-11-16-13)14-7-5-6-8-17(2)3/h10-11H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine?
N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine is sourced from PubChem (CID 66328807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).