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

C12H20N4O — CID 80763697

IUPAC1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-ol
SMILESCCc1c(NC)ncnc1N1CCC(O)CC1
InChIInChI=1S/C12H20N4O/c1-3-10-11(13-2)14-8-15-12(10)16-6-4-9(17)5-7-16/h8-9,17H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyWFHJQEFVZKEFEO-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.04
Rot. Bonds3

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

1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 80763697) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-ol
PubChem CID80763697
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-ol
SMILESCCc1c(NC)ncnc1N1CCC(O)CC1
InChIInChI=1S/C12H20N4O/c1-3-10-11(13-2)14-8-15-12(10)16-6-4-9(17)5-7-16/h8-9,17H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyWFHJQEFVZKEFEO-UHFFFAOYSA-N
XLogP1.04
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.04
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]piperidin-4-ol?
The IUPAC name of 1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-ol (CID 80763697) is 1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-ol is CCc1c(NC)ncnc1N1CCC(O)CC1.
What is the InChIKey of 1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is WFHJQEFVZKEFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-10-11(13-2)14-8-15-12(10)16-6-4-9(17)5-7-16/h8-9,17H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-ol?
1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 236.32 g/mol, XLogP of 1.04, 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]piperidin-4-ol is sourced from PubChem (CID 80763697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).