2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol

C16H28N4O — CID 102875677

IUPAC2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
SMILESCCNc1cc(N(CCO)C2CCC2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H28N4O/c1-5-17-13-11-14(19-15(18-13)16(2,3)4)20(9-10-21)12-7-6-8-12/h11-12,21H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyBFPBCZHXJRSSOI-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.56
Rot. Bonds6

About 2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol

2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol (PubChem CID 102875677) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
PubChem CID102875677
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
SMILESCCNc1cc(N(CCO)C2CCC2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H28N4O/c1-5-17-13-11-14(19-15(18-13)16(2,3)4)20(9-10-21)12-7-6-8-12/h11-12,21H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyBFPBCZHXJRSSOI-UHFFFAOYSA-N
XLogP2.56
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
CID 80962129
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102875864
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
CID 80960291
2-tert-butyl-4-N-cyclopropyl-4-N,6-N-diethylpyrimidine-4,6-diamine
CID 80968134
2-[cyclobutyl-[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethanol
CID 102875637
2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80960352
2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80809845
2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80787099
2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 102875669
2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967633
2-[[6-tert-butyl-4-(hydroxymethyl)-2-pyridinyl]-cyclobutylamino]ethanol
CID 102869293
2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol
CID 102875846

Frequently Asked Questions

What is the IUPAC name of 2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol?
The IUPAC name of 2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol (CID 102875677) is 2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol?
The canonical SMILES for 2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol is CCNc1cc(N(CCO)C2CCC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol?
The InChIKey is BFPBCZHXJRSSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-17-13-11-14(19-15(18-13)16(2,3)4)20(9-10-21)12-7-6-8-12/h11-12,21H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of 2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol?
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol has a molecular weight of 292.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol is sourced from PubChem (CID 102875677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).