3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine

C13H24N4O — CID 62298226

IUPAC3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCC(C)c1ncc(OCCCN(C)C)c(CN)n1
InChIInChI=1S/C13H24N4O/c1-10(2)13-15-9-12(11(8-14)16-13)18-7-5-6-17(3)4/h9-10H,5-8,14H2,1-4H3
InChIKeyQKEPKMCGQQZDMV-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.39
Rot. Bonds7

About 3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine

3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 62298226) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine
PubChem CID62298226
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCC(C)c1ncc(OCCCN(C)C)c(CN)n1
InChIInChI=1S/C13H24N4O/c1-10(2)13-15-9-12(11(8-14)16-13)18-7-5-6-17(3)4/h9-10H,5-8,14H2,1-4H3
InChIKeyQKEPKMCGQQZDMV-UHFFFAOYSA-N
XLogP1.39
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.39
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

3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 114524856
[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62321625
[2-propan-2-yl-5-(thiophen-2-ylmethoxy)pyrimidin-4-yl]methanamine
CID 62321741
[5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 82831312
[2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 62322377
4-(chloromethyl)-2-propan-2-yl-5-propoxypyrimidine
CID 62087446
(5-hexoxy-2-propan-2-ylpyrimidin-4-yl)methanol
CID 62087433
4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine
CID 62300682
[5-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 63648235
[5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 64600452
[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62297328
[2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 62296045

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine (CID 62298226) is 3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine is CC(C)c1ncc(OCCCN(C)C)c(CN)n1.
What is the InChIKey of 3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is QKEPKMCGQQZDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)13-15-9-12(11(8-14)16-13)18-7-5-6-17(3)4/h9-10H,5-8,14H2,1-4H3.
What are the key properties of 3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine?
3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 62298226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).