[2-[(dimethylamino)methyl]-4-methylpyrimidin-5-yl]methanol

C9H15N3O — CID 130482956

IUPAC[2-[(dimethylamino)methyl]-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(CN(C)C)ncc1CO
InChIInChI=1S/C9H15N3O/c1-7-8(6-13)4-10-9(11-7)5-12(2)3/h4,13H,5-6H2,1-3H3
InChIKeyKEQFGSFBDXEGOI-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.34
Rot. Bonds3

About [2-[(dimethylamino)methyl]-4-methylpyrimidin-5-yl]methanol

[2-[(dimethylamino)methyl]-4-methylpyrimidin-5-yl]methanol (PubChem CID 130482956) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-4-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-4-methylpyrimidin-5-yl]methanol
PubChem CID130482956
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[2-[(dimethylamino)methyl]-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(CN(C)C)ncc1CO
InChIInChI=1S/C9H15N3O/c1-7-8(6-13)4-10-9(11-7)5-12(2)3/h4,13H,5-6H2,1-3H3
InChIKeyKEQFGSFBDXEGOI-UHFFFAOYSA-N
XLogP0.34
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-4-methylpyrimidin-5-yl]methanol?
The IUPAC name of [2-[(dimethylamino)methyl]-4-methylpyrimidin-5-yl]methanol (CID 130482956) is [2-[(dimethylamino)methyl]-4-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-[(dimethylamino)methyl]-4-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-[(dimethylamino)methyl]-4-methylpyrimidin-5-yl]methanol is Cc1nc(CN(C)C)ncc1CO.
What is the InChIKey of [2-[(dimethylamino)methyl]-4-methylpyrimidin-5-yl]methanol?
The InChIKey is KEQFGSFBDXEGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-8(6-13)4-10-9(11-7)5-12(2)3/h4,13H,5-6H2,1-3H3.
What are the key properties of [2-[(dimethylamino)methyl]-4-methylpyrimidin-5-yl]methanol?
[2-[(dimethylamino)methyl]-4-methylpyrimidin-5-yl]methanol has a molecular weight of 181.24 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-4-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 130482956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).