N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-2-yl)methanamine

C12H19N3O — CID 61015871

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCc1nccc(CNCC2CCCCO2)n1
InChIInChI=1S/C12H19N3O/c1-10-14-6-5-11(15-10)8-13-9-12-4-2-3-7-16-12/h5-6,12-13H,2-4,7-9H2,1H3
InChIKeyNCMSZVYCRNBBQN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.44
Rot. Bonds4

About N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-2-yl)methanamine

N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-2-yl)methanamine (PubChem CID 61015871) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-2-yl)methanamine
PubChem CID61015871
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCc1nccc(CNCC2CCCCO2)n1
InChIInChI=1S/C12H19N3O/c1-10-14-6-5-11(15-10)8-13-9-12-4-2-3-7-16-12/h5-6,12-13H,2-4,7-9H2,1H3
InChIKeyNCMSZVYCRNBBQN-UHFFFAOYSA-N
XLogP1.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 62747716
1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 60961240
N-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine
CID 60984970
N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 61016275
N-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine
CID 106633706
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
1-(oxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284247
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332
N-(furan-2-ylmethyl)-1-(oxan-2-yl)methanamine
CID 43403599
1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 66391420
N-[(1-methylpyrazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124559394
N-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine
CID 105378407

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-2-yl)methanamine (CID 61015871) is N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-2-yl)methanamine is Cc1nccc(CNCC2CCCCO2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-2-yl)methanamine?
The InChIKey is NCMSZVYCRNBBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-14-6-5-11(15-10)8-13-9-12-4-2-3-7-16-12/h5-6,12-13H,2-4,7-9H2,1H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-2-yl)methanamine?
N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-2-yl)methanamine has a molecular weight of 221.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 61015871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).