1-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropan-2-ol

C13H24N4O — CID 80848781

IUPAC1-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(C)nc(NC)c1C
InChIInChI=1S/C13H24N4O/c1-7-17(8-13(4,5)18)12-9(2)11(14-6)15-10(3)16-12/h18H,7-8H2,1-6H3,(H,14,15,16)
InChIKeyIYXRCDJDCQNKSJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.73
Rot. Bonds5

About 1-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropan-2-ol

1-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropan-2-ol (PubChem CID 80848781) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropan-2-ol
PubChem CID80848781
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(C)nc(NC)c1C
InChIInChI=1S/C13H24N4O/c1-7-17(8-13(4,5)18)12-9(2)11(14-6)15-10(3)16-12/h18H,7-8H2,1-6H3,(H,14,15,16)
InChIKeyIYXRCDJDCQNKSJ-UHFFFAOYSA-N
XLogP1.73
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[ethyl-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80923163
4-N-ethyl-6-N,2,5-trimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80774156
4-N-ethyl-4-N-(2-methoxyethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80808572
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-propan-2-ylacetamide
CID 80805162
4-N-ethyl-6-N,2,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80798913
1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80978477
4-N,6-N-diethyl-2,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80774157
4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80753501
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
CID 80820561
4-N-cyclohexyl-4-N-ethyl-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80767116
4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80846664
2-[ethyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide
CID 80987036

Frequently Asked Questions

What is the IUPAC name of 1-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropan-2-ol (CID 80848781) is 1-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1nc(C)nc(NC)c1C.
What is the InChIKey of 1-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropan-2-ol?
The InChIKey is IYXRCDJDCQNKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-7-17(8-13(4,5)18)12-9(2)11(14-6)15-10(3)16-12/h18H,7-8H2,1-6H3,(H,14,15,16).
What are the key properties of 1-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropan-2-ol?
1-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 80848781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).