N-[[4,6-dimethyl-2-(propoxymethyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine

C15H27N3O — CID 55113444

IUPACN-[[4,6-dimethyl-2-(propoxymethyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCCOCc1nc(C)c(CNC(C)(C)C)c(C)n1
InChIInChI=1S/C15H27N3O/c1-7-8-19-10-14-17-11(2)13(12(3)18-14)9-16-15(4,5)6/h16H,7-10H2,1-6H3
InChIKeyYSVKWMHTFLEOHS-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.91
Rot. Bonds6

About N-[[4,6-dimethyl-2-(propoxymethyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine

N-[[4,6-dimethyl-2-(propoxymethyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 55113444) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(propoxymethyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(propoxymethyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID55113444
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[[4,6-dimethyl-2-(propoxymethyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCCOCc1nc(C)c(CNC(C)(C)C)c(C)n1
InChIInChI=1S/C15H27N3O/c1-7-8-19-10-14-17-11(2)13(12(3)18-14)9-16-15(4,5)6/h16H,7-10H2,1-6H3
InChIKeyYSVKWMHTFLEOHS-UHFFFAOYSA-N
XLogP2.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[4,6-dimethyl-2-(propoxymethyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4,6-dimethyl-2-(propoxymethyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine (CID 55113444) is N-[[4,6-dimethyl-2-(propoxymethyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(propoxymethyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4,6-dimethyl-2-(propoxymethyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine is CCCOCc1nc(C)c(CNC(C)(C)C)c(C)n1.
What is the InChIKey of N-[[4,6-dimethyl-2-(propoxymethyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is YSVKWMHTFLEOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-7-8-19-10-14-17-11(2)13(12(3)18-14)9-16-15(4,5)6/h16H,7-10H2,1-6H3.
What are the key properties of N-[[4,6-dimethyl-2-(propoxymethyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
N-[[4,6-dimethyl-2-(propoxymethyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(propoxymethyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55113444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).