1-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-2-methylpropan-2-ol

C12H21N3O — CID 79390171

IUPAC1-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(C)cc(C)n1
InChIInChI=1S/C12H21N3O/c1-6-15(8-12(4,5)16)11-13-9(2)7-10(3)14-11/h7,16H,6,8H2,1-5H3
InChIKeyNODFBYKYJGUENS-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.69
Rot. Bonds4

About 1-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-2-methylpropan-2-ol

1-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-2-methylpropan-2-ol (PubChem CID 79390171) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-2-methylpropan-2-ol
PubChem CID79390171
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(C)cc(C)n1
InChIInChI=1S/C12H21N3O/c1-6-15(8-12(4,5)16)11-13-9(2)7-10(3)14-11/h7,16H,6,8H2,1-5H3
InChIKeyNODFBYKYJGUENS-UHFFFAOYSA-N
XLogP1.69
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol
CID 78995484
2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]ethanol
CID 61147655
2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid
CID 61012125
4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine
CID 138487090
N,N-diethyl-4,6-dimethylpyrimidin-2-amine;ethane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173412353
N-tert-butyl-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
CID 109332208
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83184172
1-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 80848467
1-[ethyl-(3-methylquinolin-2-yl)amino]-2-methylpropan-2-ol
CID 79390559
N'-ethyl-2,2-dimethyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,3-diamine
CID 115973532
1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol
CID 61101851
1-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 80848621

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-2-methylpropan-2-ol (CID 79390171) is 1-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1nc(C)cc(C)n1.
What is the InChIKey of 1-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-2-methylpropan-2-ol?
The InChIKey is NODFBYKYJGUENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-6-15(8-12(4,5)16)11-13-9(2)7-10(3)14-11/h7,16H,6,8H2,1-5H3.
What are the key properties of 1-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-2-methylpropan-2-ol?
1-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-2-methylpropan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79390171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).