1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol

C15H26N4O — CID 114683955

IUPAC1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol
SMILESCCNc1nc(CC)nc(N2CCC(O)C(C)C2)c1C
InChIInChI=1S/C15H26N4O/c1-5-13-17-14(16-6-2)11(4)15(18-13)19-8-7-12(20)10(3)9-19/h10,12,20H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyYJLPDVIAHKBWFI-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.99
Rot. Bonds4

About 1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol

1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol (PubChem CID 114683955) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol
PubChem CID114683955
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol
SMILESCCNc1nc(CC)nc(N2CCC(O)C(C)C2)c1C
InChIInChI=1S/C15H26N4O/c1-5-13-17-14(16-6-2)11(4)15(18-13)19-8-7-12(20)10(3)9-19/h10,12,20H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyYJLPDVIAHKBWFI-UHFFFAOYSA-N
XLogP1.99
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol (CID 114683955) is 1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol is CCNc1nc(CC)nc(N2CCC(O)C(C)C2)c1C.
What is the InChIKey of 1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol?
The InChIKey is YJLPDVIAHKBWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-13-17-14(16-6-2)11(4)15(18-13)19-8-7-12(20)10(3)9-19/h10,12,20H,5-9H2,1-4H3,(H,16,17,18).
What are the key properties of 1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol?
1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol has a molecular weight of 278.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114683955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).