[1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol

C13H22N4O — CID 80657903

IUPAC[1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol
SMILESCNc1cc(C)nc(CN2CCC(CO)CC2)n1
InChIInChI=1S/C13H22N4O/c1-10-7-12(14-2)16-13(15-10)8-17-5-3-11(9-18)4-6-17/h7,11,18H,3-6,8-9H2,1-2H3,(H,14,15,16)
InChIKeyIOMZHAXCKXMBEN-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.03
Rot. Bonds4

About [1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol

[1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol (PubChem CID 80657903) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol
PubChem CID80657903
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol
SMILESCNc1cc(C)nc(CN2CCC(CO)CC2)n1
InChIInChI=1S/C13H22N4O/c1-10-7-12(14-2)16-13(15-10)8-17-5-3-11(9-18)4-6-17/h7,11,18H,3-6,8-9H2,1-2H3,(H,14,15,16)
InChIKeyIOMZHAXCKXMBEN-UHFFFAOYSA-N
XLogP1.03
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol (CID 80657903) is [1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol is CNc1cc(C)nc(CN2CCC(CO)CC2)n1.
What is the InChIKey of [1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol?
The InChIKey is IOMZHAXCKXMBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-7-12(14-2)16-13(15-10)8-17-5-3-11(9-18)4-6-17/h7,11,18H,3-6,8-9H2,1-2H3,(H,14,15,16).
What are the key properties of [1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol?
[1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol has a molecular weight of 250.35 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 80657903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).