4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol

C12H22N4O — CID 80841124

IUPAC4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
SMILESCCNc1ncnc(NCCC(C)O)c1CC
InChIInChI=1S/C12H22N4O/c1-4-10-11(13-5-2)15-8-16-12(10)14-7-6-9(3)17/h8-9,17H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyHEVZBMWKVBANHS-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.65
Rot. Bonds7

About 4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol

4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol (PubChem CID 80841124) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
PubChem CID80841124
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
SMILESCCNc1ncnc(NCCC(C)O)c1CC
InChIInChI=1S/C12H22N4O/c1-4-10-11(13-5-2)15-8-16-12(10)14-7-6-9(3)17/h8-9,17H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyHEVZBMWKVBANHS-UHFFFAOYSA-N
XLogP1.65
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol with MolForge

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Related Compounds

4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64912142
5-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138738
4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-2-ol
CID 103669518
4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80844938
6-N,5-diethyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-4,6-diamine
CID 102908943
4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol
CID 80992163
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80842162
4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
CID 64927663
6-N,5-diethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80769783
1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol
CID 80906559
4-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106249039
6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine
CID 80818386

Frequently Asked Questions

What is the IUPAC name of 4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol?
The IUPAC name of 4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol (CID 80841124) is 4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol.
What is the SMILES notation for 4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol?
The canonical SMILES for 4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol is CCNc1ncnc(NCCC(C)O)c1CC.
What is the InChIKey of 4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol?
The InChIKey is HEVZBMWKVBANHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-10-11(13-5-2)15-8-16-12(10)14-7-6-9(3)17/h8-9,17H,4-7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol?
4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol is sourced from PubChem (CID 80841124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).