1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol

C15H28N4O — CID 106296295

IUPAC1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(NCC)nc(C(C)C)n1
InChIInChI=1S/C15H28N4O/c1-6-8-15(5,20)10-17-13-9-12(16-7-2)18-14(19-13)11(3)4/h9,11,20H,6-8,10H2,1-5H3,(H2,16,17,18,19)
InChIKeyQFPVFFDIWIKNMH-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.99
Rot. Bonds8

About 1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol

1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol (PubChem CID 106296295) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol
PubChem CID106296295
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(NCC)nc(C(C)C)n1
InChIInChI=1S/C15H28N4O/c1-6-8-15(5,20)10-17-13-9-12(16-7-2)18-14(19-13)11(3)4/h9,11,20H,6-8,10H2,1-5H3,(H2,16,17,18,19)
InChIKeyQFPVFFDIWIKNMH-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169544
1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
CID 80960165
1-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 114169926
1-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296296
1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296318
2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80960142
2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 63962761
1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80969009
N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine
CID 62192677
4-N-(2,2-dimethylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 103466665
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
1-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106293540

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol (CID 106296295) is 1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1cc(NCC)nc(C(C)C)n1.
What is the InChIKey of 1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol?
The InChIKey is QFPVFFDIWIKNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-8-15(5,20)10-17-13-9-12(16-7-2)18-14(19-13)11(3)4/h9,11,20H,6-8,10H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol?
1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol has a molecular weight of 280.42 g/mol, XLogP of 2.99, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol is sourced from PubChem (CID 106296295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).