2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol

C11H20N4O — CID 80981481

IUPAC2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol
SMILESCc1c(N)nc(C(C)(C)C)nc1NCCO
InChIInChI=1S/C11H20N4O/c1-7-8(12)14-10(11(2,3)4)15-9(7)13-5-6-16/h16H,5-6H2,1-4H3,(H3,12,13,14,15)
InChIKeyLBQLKIIMWRLJQO-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.07
Rot. Bonds3

About 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol

2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol (PubChem CID 80981481) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol
PubChem CID80981481
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol
SMILESCc1c(N)nc(C(C)(C)C)nc1NCCO
InChIInChI=1S/C11H20N4O/c1-7-8(12)14-10(11(2,3)4)15-9(7)13-5-6-16/h16H,5-6H2,1-4H3,(H3,12,13,14,15)
InChIKeyLBQLKIIMWRLJQO-UHFFFAOYSA-N
XLogP1.07
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol with MolForge

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Related Compounds

5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138122
3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80982844
1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol
CID 80993136
2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258482
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981938
methyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80981003
2-tert-butyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424191
2-tert-butyl-5-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-4,6-diamine
CID 80984364
2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 80980968
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol
CID 80984904
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198680
2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80994208

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol (CID 80981481) is 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol is Cc1c(N)nc(C(C)(C)C)nc1NCCO.
What is the InChIKey of 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol?
The InChIKey is LBQLKIIMWRLJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7-8(12)14-10(11(2,3)4)15-9(7)13-5-6-16/h16H,5-6H2,1-4H3,(H3,12,13,14,15).
What are the key properties of 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol?
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol has a molecular weight of 224.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 80981481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).