6-[2-(dimethylamino)-2-methylpropoxy]-2,5-dimethylpyrimidin-4-amine

C12H22N4O — CID 80877740

IUPAC6-[2-(dimethylamino)-2-methylpropoxy]-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(N)c(C)c(OCC(C)(C)N(C)C)n1
InChIInChI=1S/C12H22N4O/c1-8-10(13)14-9(2)15-11(8)17-7-12(3,4)16(5)6/h7H2,1-6H3,(H2,13,14,15)
InChIKeyCQFPHKQMQQOOKM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.39
Rot. Bonds4

About 6-[2-(dimethylamino)-2-methylpropoxy]-2,5-dimethylpyrimidin-4-amine

6-[2-(dimethylamino)-2-methylpropoxy]-2,5-dimethylpyrimidin-4-amine (PubChem CID 80877740) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-[2-(dimethylamino)-2-methylpropoxy]-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(dimethylamino)-2-methylpropoxy]-2,5-dimethylpyrimidin-4-amine
PubChem CID80877740
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name6-[2-(dimethylamino)-2-methylpropoxy]-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(N)c(C)c(OCC(C)(C)N(C)C)n1
InChIInChI=1S/C12H22N4O/c1-8-10(13)14-9(2)15-11(8)17-7-12(3,4)16(5)6/h7H2,1-6H3,(H2,13,14,15)
InChIKeyCQFPHKQMQQOOKM-UHFFFAOYSA-N
XLogP1.39
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)-2-methylpropoxy]-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-[2-(dimethylamino)-2-methylpropoxy]-2,5-dimethylpyrimidin-4-amine (CID 80877740) is 6-[2-(dimethylamino)-2-methylpropoxy]-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-(dimethylamino)-2-methylpropoxy]-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-[2-(dimethylamino)-2-methylpropoxy]-2,5-dimethylpyrimidin-4-amine is Cc1nc(N)c(C)c(OCC(C)(C)N(C)C)n1.
What is the InChIKey of 6-[2-(dimethylamino)-2-methylpropoxy]-2,5-dimethylpyrimidin-4-amine?
The InChIKey is CQFPHKQMQQOOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8-10(13)14-9(2)15-11(8)17-7-12(3,4)16(5)6/h7H2,1-6H3,(H2,13,14,15).
What are the key properties of 6-[2-(dimethylamino)-2-methylpropoxy]-2,5-dimethylpyrimidin-4-amine?
6-[2-(dimethylamino)-2-methylpropoxy]-2,5-dimethylpyrimidin-4-amine has a molecular weight of 238.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)-2-methylpropoxy]-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80877740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).