3-[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol

C14H26N4OS — CID 106311785

IUPAC3-[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
SMILESCCCc1c(NCC)ncnc1NCCSCCCO
InChIInChI=1S/C14H26N4OS/c1-3-6-12-13(15-4-2)17-11-18-14(12)16-7-10-20-9-5-8-19/h11,19H,3-10H2,1-2H3,(H2,15,16,17,18)
InChIKeyGPFWRTBMLFNHLQ-UHFFFAOYSA-N
MW298.46 g/mol
LogP2.39
Rot. Bonds11

About 3-[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol

3-[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol (PubChem CID 106311785) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 3-[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
PubChem CID106311785
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name3-[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
SMILESCCCc1c(NCC)ncnc1NCCSCCCO
InChIInChI=1S/C14H26N4OS/c1-3-6-12-13(15-4-2)17-11-18-14(12)16-7-10-20-9-5-8-19/h11,19H,3-10H2,1-2H3,(H2,15,16,17,18)
InChIKeyGPFWRTBMLFNHLQ-UHFFFAOYSA-N
XLogP2.39
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol (CID 106311785) is 3-[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol is CCCc1c(NCC)ncnc1NCCSCCCO.
What is the InChIKey of 3-[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol?
The InChIKey is GPFWRTBMLFNHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-3-6-12-13(15-4-2)17-11-18-14(12)16-7-10-20-9-5-8-19/h11,19H,3-10H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 3-[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol?
3-[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol has a molecular weight of 298.46 g/mol, XLogP of 2.39, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 106311785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).