1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol

C13H22N4O — CID 81108542

IUPAC1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
SMILESCCc1c(NC)ncnc1N1CCC(C)(O)CC1
InChIInChI=1S/C13H22N4O/c1-4-10-11(14-3)15-9-16-12(10)17-7-5-13(2,18)6-8-17/h9,18H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyDFKGKVIOYRWJGO-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.43
Rot. Bonds3

About 1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol

1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol (PubChem CID 81108542) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
PubChem CID81108542
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
SMILESCCc1c(NC)ncnc1N1CCC(C)(O)CC1
InChIInChI=1S/C13H22N4O/c1-4-10-11(14-3)15-9-16-12(10)17-7-5-13(2,18)6-8-17/h9,18H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyDFKGKVIOYRWJGO-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol (CID 81108542) is 1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol is CCc1c(NC)ncnc1N1CCC(C)(O)CC1.
What is the InChIKey of 1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The InChIKey is DFKGKVIOYRWJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-10-11(14-3)15-9-16-12(10)17-7-5-13(2,18)6-8-17/h9,18H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol has a molecular weight of 250.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81108542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).