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

C15H26N4O — CID 80962129

IUPAC2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
SMILESCCNc1cc(N(CCO)C2CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H26N4O/c1-5-16-12-10-13(18-14(17-12)15(2,3)4)19(8-9-20)11-6-7-11/h10-11,20H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyKNBRGGUHXNYPBB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.17
Rot. Bonds6

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

2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol (PubChem CID 80962129) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
PubChem CID80962129
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
SMILESCCNc1cc(N(CCO)C2CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H26N4O/c1-5-16-12-10-13(18-14(17-12)15(2,3)4)19(8-9-20)11-6-7-11/h10-11,20H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyKNBRGGUHXNYPBB-UHFFFAOYSA-N
XLogP2.17
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875677
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-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102875864
2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80960352
2-[cyclobutyl-[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethanol
CID 102875637
2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967633
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557046
2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80809845
2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80961049
2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80787099
2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80904604

Frequently Asked Questions

What is the IUPAC name of 2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol?
The IUPAC name of 2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol (CID 80962129) is 2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol?
The canonical SMILES for 2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol is CCNc1cc(N(CCO)C2CC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol?
The InChIKey is KNBRGGUHXNYPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-16-12-10-13(18-14(17-12)15(2,3)4)19(8-9-20)11-6-7-11/h10-11,20H,5-9H2,1-4H3,(H,16,17,18).
What are the key properties of 2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol?
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol has a molecular weight of 278.40 g/mol, XLogP of 2.17, 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]-cyclopropylamino]ethanol is sourced from PubChem (CID 80962129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).