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

C15H25N3O — CID 65333979

IUPAC2-methyl-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)(C)C)nc(C2CCCOC2)n1
InChIInChI=1S/C15H25N3O/c1-11-8-13(9-16-15(2,3)4)18-14(17-11)12-6-5-7-19-10-12/h8,12,16H,5-7,9-10H2,1-4H3
InChIKeyIOISJRVSRSETPE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.57
Rot. Bonds3

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

2-methyl-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]propan-2-amine (PubChem CID 65333979) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methyl-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]propan-2-amine
PubChem CID65333979
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-methyl-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)(C)C)nc(C2CCCOC2)n1
InChIInChI=1S/C15H25N3O/c1-11-8-13(9-16-15(2,3)4)18-14(17-11)12-6-5-7-19-10-12/h8,12,16H,5-7,9-10H2,1-4H3
InChIKeyIOISJRVSRSETPE-UHFFFAOYSA-N
XLogP2.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]propan-2-amine (CID 65333979) is 2-methyl-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]propan-2-amine is Cc1cc(CNC(C)(C)C)nc(C2CCCOC2)n1.
What is the InChIKey of 2-methyl-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]propan-2-amine?
The InChIKey is IOISJRVSRSETPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-8-13(9-16-15(2,3)4)18-14(17-11)12-6-5-7-19-10-12/h8,12,16H,5-7,9-10H2,1-4H3.
What are the key properties of 2-methyl-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]propan-2-amine?
2-methyl-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]propan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 65333979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).