1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol

C13H22N4O — CID 80764591

IUPAC1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol
SMILESCCNc1nc(C)nc(N2CCC(O)CC2)c1C
InChIInChI=1S/C13H22N4O/c1-4-14-12-9(2)13(16-10(3)15-12)17-7-5-11(18)6-8-17/h11,18H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyDTOOSRIJXVXZPJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.49
Rot. Bonds3

About 1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol

1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol (PubChem CID 80764591) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol
PubChem CID80764591
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol
SMILESCCNc1nc(C)nc(N2CCC(O)CC2)c1C
InChIInChI=1S/C13H22N4O/c1-4-14-12-9(2)13(16-10(3)15-12)17-7-5-11(18)6-8-17/h11,18H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyDTOOSRIJXVXZPJ-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol (CID 80764591) is 1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol is CCNc1nc(C)nc(N2CCC(O)CC2)c1C.
What is the InChIKey of 1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol?
The InChIKey is DTOOSRIJXVXZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-14-12-9(2)13(16-10(3)15-12)17-7-5-11(18)6-8-17/h11,18H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol?
1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol has a molecular weight of 250.35 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 80764591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).