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

C13H24N4O — CID 80992163

IUPAC4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol
SMILESCCNc1nc(CC)nc(NCCC(C)O)c1C
InChIInChI=1S/C13H24N4O/c1-5-11-16-12(14-6-2)10(4)13(17-11)15-8-7-9(3)18/h9,18H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyTZLCRDBPXIOVRW-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.96
Rot. Bonds7

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

4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol (PubChem CID 80992163) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol
PubChem CID80992163
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol
SMILESCCNc1nc(CC)nc(NCCC(C)O)c1C
InChIInChI=1S/C13H24N4O/c1-5-11-16-12(14-6-2)10(4)13(17-11)15-8-7-9(3)18/h9,18H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyTZLCRDBPXIOVRW-UHFFFAOYSA-N
XLogP1.96
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138744
4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol
CID 80991675
6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
CID 115327660
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propan-1-ol
CID 80993320
4-N-[2-(diethylamino)ethyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80980989
4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80841124
1-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159606
6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80976798
4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol
CID 80992534
6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine
CID 80982661
1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-4-methylpentan-2-ol
CID 107159660

Frequently Asked Questions

What is the IUPAC name of 4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol?
The IUPAC name of 4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol (CID 80992163) is 4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol.
What is the SMILES notation for 4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol?
The canonical SMILES for 4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol is CCNc1nc(CC)nc(NCCC(C)O)c1C.
What is the InChIKey of 4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol?
The InChIKey is TZLCRDBPXIOVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-11-16-12(14-6-2)10(4)13(17-11)15-8-7-9(3)18/h9,18H,5-8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol?
4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol is sourced from PubChem (CID 80992163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).