2-methyl-N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-6-pyridin-2-ylpyrimidin-4-amine

C19H25N5O — CID 154867730

IUPAC2-methyl-N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-6-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(NCC2CCN2C2CCOCC2)cc(-c2ccccn2)n1
InChIInChI=1S/C19H25N5O/c1-14-22-18(17-4-2-3-8-20-17)12-19(23-14)21-13-16-5-9-24(16)15-6-10-25-11-7-15/h2-4,8,12,15-16H,5-7,9-11,13H2,1H3,(H,21,22,23)
InChIKeySBCUIBLGWCGAMN-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.51
Rot. Bonds5

About 2-methyl-N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-6-pyridin-2-ylpyrimidin-4-amine

2-methyl-N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-6-pyridin-2-ylpyrimidin-4-amine (PubChem CID 154867730) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-methyl-N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-6-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-6-pyridin-2-ylpyrimidin-4-amine
PubChem CID154867730
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-methyl-N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-6-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(NCC2CCN2C2CCOCC2)cc(-c2ccccn2)n1
InChIInChI=1S/C19H25N5O/c1-14-22-18(17-4-2-3-8-20-17)12-19(23-14)21-13-16-5-9-24(16)15-6-10-25-11-7-15/h2-4,8,12,15-16H,5-7,9-11,13H2,1H3,(H,21,22,23)
InChIKeySBCUIBLGWCGAMN-UHFFFAOYSA-N
XLogP2.51
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-6-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-6-pyridin-2-ylpyrimidin-4-amine (CID 154867730) is 2-methyl-N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-6-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-6-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-6-pyridin-2-ylpyrimidin-4-amine is Cc1nc(NCC2CCN2C2CCOCC2)cc(-c2ccccn2)n1.
What is the InChIKey of 2-methyl-N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-6-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is SBCUIBLGWCGAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-22-18(17-4-2-3-8-20-17)12-19(23-14)21-13-16-5-9-24(16)15-6-10-25-11-7-15/h2-4,8,12,15-16H,5-7,9-11,13H2,1H3,(H,21,22,23).
What are the key properties of 2-methyl-N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-6-pyridin-2-ylpyrimidin-4-amine?
2-methyl-N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-6-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 339.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-6-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 154867730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).