3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol

C15H28N4O — CID 106288894

IUPAC3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol
SMILESCCC(CC)C(O)CNc1ncnc(NC)c1C(C)C
InChIInChI=1S/C15H28N4O/c1-6-11(7-2)12(20)8-17-15-13(10(3)4)14(16-5)18-9-19-15/h9-12,20H,6-8H2,1-5H3,(H2,16,17,18,19)
InChIKeyKALHZKDBUUAGLH-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.85
Rot. Bonds8

About 3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol

3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol (PubChem CID 106288894) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol
PubChem CID106288894
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol
SMILESCCC(CC)C(O)CNc1ncnc(NC)c1C(C)C
InChIInChI=1S/C15H28N4O/c1-6-11(7-2)12(20)8-17-15-13(10(3)4)14(16-5)18-9-19-15/h9-12,20H,6-8H2,1-5H3,(H2,16,17,18,19)
InChIKeyKALHZKDBUUAGLH-UHFFFAOYSA-N
XLogP2.85
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol with MolForge

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Related Compounds

6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146884
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80779051
6-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80838517
6-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80786302
6-N-methyl-4-N-(3-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804161
6-N-methyl-4-N-(3-methylpentan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 106332068
4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80765370
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159522
2,2-difluoro-3-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 114154604
3-ethyl-1-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]pentan-2-ol
CID 106288935
4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 81132173
6-N-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106378719

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol (CID 106288894) is 3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol is CCC(CC)C(O)CNc1ncnc(NC)c1C(C)C.
What is the InChIKey of 3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol?
The InChIKey is KALHZKDBUUAGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-11(7-2)12(20)8-17-15-13(10(3)4)14(16-5)18-9-19-15/h9-12,20H,6-8H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol?
3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol has a molecular weight of 280.42 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol is sourced from PubChem (CID 106288894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).