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

C15H26N4OS — CID 106311788

IUPAC3-[2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
SMILESCCNc1nc(C2CC2)nc(NCCSCCCO)c1C
InChIInChI=1S/C15H26N4OS/c1-3-16-13-11(2)14(17-7-10-21-9-4-8-20)19-15(18-13)12-5-6-12/h12,20H,3-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyQYJPAPDPVPYUHT-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.62
Rot. Bonds10

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

3-[2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol (PubChem CID 106311788) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 3-[2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
PubChem CID106311788
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name3-[2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
SMILESCCNc1nc(C2CC2)nc(NCCSCCCO)c1C
InChIInChI=1S/C15H26N4OS/c1-3-16-13-11(2)14(17-7-10-21-9-4-8-20)19-15(18-13)12-5-6-12/h12,20H,3-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyQYJPAPDPVPYUHT-UHFFFAOYSA-N
XLogP2.62
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol with MolForge

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Related Compounds

4-N-butyl-2-cyclopropyl-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80981195
2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine
CID 80985625
3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80984218
6-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80990882
2-cyclopropyl-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985452
3-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311687
2-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine
CID 107765323
3-[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311785
2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985256
3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163143
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2-methylpropanamide
CID 80982786

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol (CID 106311788) is 3-[2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol is CCNc1nc(C2CC2)nc(NCCSCCCO)c1C.
What is the InChIKey of 3-[2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol?
The InChIKey is QYJPAPDPVPYUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-3-16-13-11(2)14(17-7-10-21-9-4-8-20)19-15(18-13)12-5-6-12/h12,20H,3-10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 3-[2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol?
3-[2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol has a molecular weight of 310.47 g/mol, XLogP of 2.62, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 106311788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).