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

C13H22N4O — CID 81102789

IUPAC4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-ol
SMILESCNc1cc(C)nc(CN2CCC(C)(O)CC2)n1
InChIInChI=1S/C13H22N4O/c1-10-8-11(14-3)16-12(15-10)9-17-6-4-13(2,18)5-7-17/h8,18H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyBMJYHCRTVSHCDR-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.17
Rot. Bonds3

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

4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-ol (PubChem CID 81102789) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-ol
PubChem CID81102789
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-ol
SMILESCNc1cc(C)nc(CN2CCC(C)(O)CC2)n1
InChIInChI=1S/C13H22N4O/c1-10-8-11(14-3)16-12(15-10)9-17-6-4-13(2,18)5-7-17/h8,18H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyBMJYHCRTVSHCDR-UHFFFAOYSA-N
XLogP1.17
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-ol (CID 81102789) is 4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-ol is CNc1cc(C)nc(CN2CCC(C)(O)CC2)n1.
What is the InChIKey of 4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-ol?
The InChIKey is BMJYHCRTVSHCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-8-11(14-3)16-12(15-10)9-17-6-4-13(2,18)5-7-17/h8,18H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of 4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-ol?
4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-ol has a molecular weight of 250.35 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 81102789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).