3-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol

C12H22N4O — CID 50951453

IUPAC3-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
SMILESCc1cc(NCC(C)(C)CO)nc(N(C)C)n1
InChIInChI=1S/C12H22N4O/c1-9-6-10(13-7-12(2,3)8-17)15-11(14-9)16(4)5/h6,17H,7-8H2,1-5H3,(H,13,14,15)
InChIKeyKHCJQONUMVDFGY-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.28
Rot. Bonds5

About 3-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol

3-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol (PubChem CID 50951453) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
PubChem CID50951453
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
SMILESCc1cc(NCC(C)(C)CO)nc(N(C)C)n1
InChIInChI=1S/C12H22N4O/c1-9-6-10(13-7-12(2,3)8-17)15-11(14-9)16(4)5/h6,17H,7-8H2,1-5H3,(H,13,14,15)
InChIKeyKHCJQONUMVDFGY-UHFFFAOYSA-N
XLogP1.28
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol (CID 50951453) is 3-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol is Cc1cc(NCC(C)(C)CO)nc(N(C)C)n1.
What is the InChIKey of 3-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol?
The InChIKey is KHCJQONUMVDFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-6-10(13-7-12(2,3)8-17)15-11(14-9)16(4)5/h6,17H,7-8H2,1-5H3,(H,13,14,15).
What are the key properties of 3-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol?
3-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 50951453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).