6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol

C16H30N4O — CID 107855275

IUPAC6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol
SMILESCCCc1nc(NCC)c(C)c(NCCCCCCO)n1
InChIInChI=1S/C16H30N4O/c1-4-10-14-19-15(17-5-2)13(3)16(20-14)18-11-8-6-7-9-12-21/h21H,4-12H2,1-3H3,(H2,17,18,19,20)
InChIKeyBDTGUETYDHQMEB-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.13
Rot. Bonds11

About 6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol

6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol (PubChem CID 107855275) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol
PubChem CID107855275
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol
SMILESCCCc1nc(NCC)c(C)c(NCCCCCCO)n1
InChIInChI=1S/C16H30N4O/c1-4-10-14-19-15(17-5-2)13(3)16(20-14)18-11-8-6-7-9-12-21/h21H,4-12H2,1-3H3,(H2,17,18,19,20)
InChIKeyBDTGUETYDHQMEB-UHFFFAOYSA-N
XLogP3.13
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 106842928
3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol
CID 80981891
6-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol
CID 114009546
3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol
CID 80988731
6-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol
CID 107855008
6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine
CID 80987408
4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80992927
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80992471
5-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106150303
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
3-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311687
2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol
CID 106311493

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol?
The IUPAC name of 6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol (CID 107855275) is 6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol?
The canonical SMILES for 6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol is CCCc1nc(NCC)c(C)c(NCCCCCCO)n1.
What is the InChIKey of 6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol?
The InChIKey is BDTGUETYDHQMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-4-10-14-19-15(17-5-2)13(3)16(20-14)18-11-8-6-7-9-12-21/h21H,4-12H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol?
6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 3.13, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol is sourced from PubChem (CID 107855275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).