4-hexadecyl-6-pentan-2-yloxy-2-piperidin-1-ylpyrimidin-5-ol

C30H55N3O2 — CID 154970513

IUPAC4-hexadecyl-6-pentan-2-yloxy-2-piperidin-1-ylpyrimidin-5-ol
SMILESCCCCCCCCCCCCCCCCc1nc(N2CCCCC2)nc(OC(C)CCC)c1O
InChIInChI=1S/C30H55N3O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-23-27-28(34)29(35-26(3)22-5-2)32-30(31-27)33-24-20-18-21-25-33/h26,34H,4-25H2,1-3H3
InChIKeyLZGJBBLDCDNBMH-UHFFFAOYSA-N
MW489.79 g/mol
LogP8.76
Rot. Bonds20

About 4-hexadecyl-6-pentan-2-yloxy-2-piperidin-1-ylpyrimidin-5-ol

4-hexadecyl-6-pentan-2-yloxy-2-piperidin-1-ylpyrimidin-5-ol (PubChem CID 154970513) has the molecular formula C30H55N3O2 and a molecular weight of 489.79 g/mol. Its IUPAC name is 4-hexadecyl-6-pentan-2-yloxy-2-piperidin-1-ylpyrimidin-5-ol.

Molecular Properties

Compound Name4-hexadecyl-6-pentan-2-yloxy-2-piperidin-1-ylpyrimidin-5-ol
PubChem CID154970513
Molecular FormulaC30H55N3O2
Molecular Weight489.79 g/mol
Exact Mass489.43
IUPAC Name4-hexadecyl-6-pentan-2-yloxy-2-piperidin-1-ylpyrimidin-5-ol
SMILESCCCCCCCCCCCCCCCCc1nc(N2CCCCC2)nc(OC(C)CCC)c1O
InChIInChI=1S/C30H55N3O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-23-27-28(34)29(35-26(3)22-5-2)32-30(31-27)33-24-20-18-21-25-33/h26,34H,4-25H2,1-3H3
InChIKeyLZGJBBLDCDNBMH-UHFFFAOYSA-N
XLogP8.76
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.79
LogP ≤ 58.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-1-yl)-4-hexadecyl-6-propan-2-yloxypyrimidin-5-ol
CID 132578430
2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol
CID 132961465
2,4-bis(azetidin-1-yl)-6-hexadecylpyrimidin-5-ol;2,4-bis(azetidin-1-yl)-6-methylpyrimidin-5-ol;2,4-bis(azetidin-1-yl)-6-tetradecylpyrimidin-5-ol
CID 167581523
2,4-bis(azetidin-1-yl)-5-bromo-6-tetradecylpyrimidine
CID 134284549
4-cyclobutyloxy-2-(diiodoamino)-6-hexadecylpyrimidin-5-ol
CID 139352004
2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80751148
2-(azetidin-1-yl)-4-methyl-6-octylpyrimidine
CID 145141912
7-ethyl-4-pentyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pteridin-6-one
CID 141341019
2-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine
CID 106659250
4-hexoxy-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80842498
4-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80826794
2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine
CID 66307142

Frequently Asked Questions

What is the IUPAC name of 4-hexadecyl-6-pentan-2-yloxy-2-piperidin-1-ylpyrimidin-5-ol?
The IUPAC name of 4-hexadecyl-6-pentan-2-yloxy-2-piperidin-1-ylpyrimidin-5-ol (CID 154970513) is 4-hexadecyl-6-pentan-2-yloxy-2-piperidin-1-ylpyrimidin-5-ol.
What is the SMILES notation for 4-hexadecyl-6-pentan-2-yloxy-2-piperidin-1-ylpyrimidin-5-ol?
The canonical SMILES for 4-hexadecyl-6-pentan-2-yloxy-2-piperidin-1-ylpyrimidin-5-ol is CCCCCCCCCCCCCCCCc1nc(N2CCCCC2)nc(OC(C)CCC)c1O.
What is the InChIKey of 4-hexadecyl-6-pentan-2-yloxy-2-piperidin-1-ylpyrimidin-5-ol?
The InChIKey is LZGJBBLDCDNBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H55N3O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-23-27-28(34)29(35-26(3)22-5-2)32-30(31-27)33-24-20-18-21-25-33/h26,34H,4-25H2,1-3H3.
What are the key properties of 4-hexadecyl-6-pentan-2-yloxy-2-piperidin-1-ylpyrimidin-5-ol?
4-hexadecyl-6-pentan-2-yloxy-2-piperidin-1-ylpyrimidin-5-ol has a molecular weight of 489.79 g/mol, XLogP of 8.76, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexadecyl-6-pentan-2-yloxy-2-piperidin-1-ylpyrimidin-5-ol is sourced from PubChem (CID 154970513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).