N-[[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]methyl]propan-1-amine

C15H25N3O — CID 65334784

IUPACN-[[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1c(C)nc(C2CCOCC2)nc1C
InChIInChI=1S/C15H25N3O/c1-4-7-16-10-14-11(2)17-15(18-12(14)3)13-5-8-19-9-6-13/h13,16H,4-10H2,1-3H3
InChIKeyLYJJOGWEMZYWSK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.49
Rot. Bonds5

About N-[[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]methyl]propan-1-amine

N-[[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 65334784) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID65334784
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1c(C)nc(C2CCOCC2)nc1C
InChIInChI=1S/C15H25N3O/c1-4-7-16-10-14-11(2)17-15(18-12(14)3)13-5-8-19-9-6-13/h13,16H,4-10H2,1-3H3
InChIKeyLYJJOGWEMZYWSK-UHFFFAOYSA-N
XLogP2.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.49
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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Related Compounds

N-[2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 65329770
4-chloro-5-ethyl-6-methyl-2-(oxan-4-yl)pyrimidine
CID 62386840
2-[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
CID 65334731
N-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine
CID 62745997
N-[[4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 79088552
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62745830
N-[[4,6-dimethyl-2-(4-methylcyclohexyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62746721
5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine
CID 66306278
2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
CID 65329014
N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65329120
N-[2-[4,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62746343
N-ethyl-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidin-4-amine
CID 62915665

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]methyl]propan-1-amine (CID 65334784) is N-[[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1c(C)nc(C2CCOCC2)nc1C.
What is the InChIKey of N-[[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is LYJJOGWEMZYWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-7-16-10-14-11(2)17-15(18-12(14)3)13-5-8-19-9-6-13/h13,16H,4-10H2,1-3H3.
What are the key properties of N-[[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]methyl]propan-1-amine?
N-[[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.49, 5 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-(oxan-4-yl)pyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 65334784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).