N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine

C13H21N3O — CID 65333931

IUPACN-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1cc(C)nc(C2CCCOC2)n1
InChIInChI=1S/C13H21N3O/c1-3-14-8-12-7-10(2)15-13(16-12)11-5-4-6-17-9-11/h7,11,14H,3-6,8-9H2,1-2H3
InChIKeyHBFGQNPPBYXCST-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.79
Rot. Bonds4

About N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine

N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 65333931) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine
PubChem CID65333931
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1cc(C)nc(C2CCCOC2)n1
InChIInChI=1S/C13H21N3O/c1-3-14-8-12-7-10(2)15-13(16-12)11-5-4-6-17-9-11/h7,11,14H,3-6,8-9H2,1-2H3
InChIKeyHBFGQNPPBYXCST-UHFFFAOYSA-N
XLogP1.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine (CID 65333931) is N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine is CCNCc1cc(C)nc(C2CCCOC2)n1.
What is the InChIKey of N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is HBFGQNPPBYXCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-14-8-12-7-10(2)15-13(16-12)11-5-4-6-17-9-11/h7,11,14H,3-6,8-9H2,1-2H3.
What are the key properties of N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine?
N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 65333931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).