4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one

C10H17N3O2 — CID 103241803

IUPAC4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one
SMILESCN(C)C(C)(C)COc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O2/c1-10(2,13(3)4)6-15-9-5-8(14)11-7-12-9/h5,7H,6H2,1-4H3,(H,11,12,14)
InChIKeyCCCWCQNZGHICKS-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.49
Rot. Bonds4

About 4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one

4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one (PubChem CID 103241803) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one
PubChem CID103241803
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one
SMILESCN(C)C(C)(C)COc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O2/c1-10(2,13(3)4)6-15-9-5-8(14)11-7-12-9/h5,7H,6H2,1-4H3,(H,11,12,14)
InChIKeyCCCWCQNZGHICKS-UHFFFAOYSA-N
XLogP0.49
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxypyrimidin-4(1H)-one
CID 45080261
4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 59665181
4-propoxy-1H-pyrimidin-6-one
CID 89293896
4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741500
4-butoxy-1H-pyrimidin-6-one
CID 103240838
4-(3-methoxypropoxy)-1H-pyrimidin-6-one
CID 103240874
4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241383
4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241419
4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one
CID 103241778
5-amino-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one
CID 103241795
4-[2-(dimethylamino)-2-methylpropoxy]-5-methoxy-1H-pyrimidin-6-one
CID 103241798
4-[2-(dimethylamino)-2-methylpropoxy]-2-methyl-1H-pyrimidin-6-one
CID 103241799

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one (CID 103241803) is 4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one is CN(C)C(C)(C)COc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one?
The InChIKey is CCCWCQNZGHICKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,13(3)4)6-15-9-5-8(14)11-7-12-9/h5,7H,6H2,1-4H3,(H,11,12,14).
What are the key properties of 4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one?
4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).