[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]methanol

C13H22N4O — CID 77095845

IUPAC[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]methanol
SMILESCN(C)c1ncc(CN2CCCCC2CO)cn1
InChIInChI=1S/C13H22N4O/c1-16(2)13-14-7-11(8-15-13)9-17-6-4-3-5-12(17)10-18/h7-8,12,18H,3-6,9-10H2,1-2H3
InChIKeyGVRRANCFYUFVES-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.89
Rot. Bonds4

About [1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]methanol

[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]methanol (PubChem CID 77095845) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]methanol
PubChem CID77095845
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]methanol
SMILESCN(C)c1ncc(CN2CCCCC2CO)cn1
InChIInChI=1S/C13H22N4O/c1-16(2)13-14-7-11(8-15-13)9-17-6-4-3-5-12(17)10-18/h7-8,12,18H,3-6,9-10H2,1-2H3
InChIKeyGVRRANCFYUFVES-UHFFFAOYSA-N
XLogP0.89
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]methanol (CID 77095845) is [1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]methanol is CN(C)c1ncc(CN2CCCCC2CO)cn1.
What is the InChIKey of [1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]methanol?
The InChIKey is GVRRANCFYUFVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16(2)13-14-7-11(8-15-13)9-17-6-4-3-5-12(17)10-18/h7-8,12,18H,3-6,9-10H2,1-2H3.
What are the key properties of [1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]methanol?
[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]methanol has a molecular weight of 250.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 77095845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).