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

C10H18N4O2 — CID 103241795

IUPAC5-amino-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one
SMILESCN(C)C(C)(C)COc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-10(2,14(3)4)5-16-9-7(11)8(15)12-6-13-9/h6H,5,11H2,1-4H3,(H,12,13,15)
InChIKeyUUSMRWLPOQASOB-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.07
Rot. Bonds4

About 5-amino-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one

5-amino-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one (PubChem CID 103241795) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-amino-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one
PubChem CID103241795
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-amino-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one
SMILESCN(C)C(C)(C)COc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-10(2,14(3)4)5-16-9-7(11)8(15)12-6-13-9/h6H,5,11H2,1-4H3,(H,12,13,15)
InChIKeyUUSMRWLPOQASOB-UHFFFAOYSA-N
XLogP0.07
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-6-ethoxypyrimidin-4-ol
CID 19152432
5-Amino-6-propoxypyrimidin-4-ol
CID 80141728
5-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741495
5-amino-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240605
5-amino-4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 103240671
5-amino-4-butoxy-1H-pyrimidin-6-one
CID 103240826
5-amino-4-(3-methoxypropoxy)-1H-pyrimidin-6-one
CID 103240863
5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241376
5-amino-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241411
5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241424
5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one
CID 103241435
5-amino-4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one
CID 103241770

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one (CID 103241795) is 5-amino-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one is CN(C)C(C)(C)COc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one?
The InChIKey is UUSMRWLPOQASOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-10(2,14(3)4)5-16-9-7(11)8(15)12-6-13-9/h6H,5,11H2,1-4H3,(H,12,13,15).
What are the key properties of 5-amino-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one?
5-amino-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).