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

C10H16ClN3O2 — CID 114676501

IUPAC5-chloro-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one
SMILESCN(C)C(C)(C)COc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-10(2,14(3)4)5-16-9-7(11)8(15)12-6-13-9/h6H,5H2,1-4H3,(H,12,13,15)
InChIKeyCKGBIYDOLIGUFM-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.14
Rot. Bonds4

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

5-chloro-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one (PubChem CID 114676501) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 5-chloro-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one
PubChem CID114676501
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name5-chloro-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one
SMILESCN(C)C(C)(C)COc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-10(2,14(3)4)5-16-9-7(11)8(15)12-6-13-9/h6H,5H2,1-4H3,(H,12,13,15)
InChIKeyCKGBIYDOLIGUFM-UHFFFAOYSA-N
XLogP1.14
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one (CID 114676501) is 5-chloro-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one is CN(C)C(C)(C)COc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one?
The InChIKey is CKGBIYDOLIGUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-10(2,14(3)4)5-16-9-7(11)8(15)12-6-13-9/h6H,5H2,1-4H3,(H,12,13,15).
What are the key properties of 5-chloro-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one?
5-chloro-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one has a molecular weight of 245.71 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114676501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).