2,5-dichloro-4-(dimethylamino)-1H-pyrimidin-6-one

C6H7Cl2N3O — CID 153387338

IUPAC2,5-dichloro-4-(dimethylamino)-1H-pyrimidin-6-one
SMILESCN(C)c1nc(Cl)[nH]c(=O)c1Cl
InChIInChI=1S/C6H7Cl2N3O/c1-11(2)4-3(7)5(12)10-6(8)9-4/h1-2H3,(H,9,10,12)
InChIKeyPRVWKMPZDKWROA-UHFFFAOYSA-N
MW208.05 g/mol
LogP1.14
Rot. Bonds1

About 2,5-dichloro-4-(dimethylamino)-1H-pyrimidin-6-one

2,5-dichloro-4-(dimethylamino)-1H-pyrimidin-6-one (PubChem CID 153387338) has the molecular formula C6H7Cl2N3O and a molecular weight of 208.05 g/mol. Its IUPAC name is 2,5-dichloro-4-(dimethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-dichloro-4-(dimethylamino)-1H-pyrimidin-6-one
PubChem CID153387338
Molecular FormulaC6H7Cl2N3O
Molecular Weight208.05 g/mol
Exact Mass207.00
IUPAC Name2,5-dichloro-4-(dimethylamino)-1H-pyrimidin-6-one
SMILESCN(C)c1nc(Cl)[nH]c(=O)c1Cl
InChIInChI=1S/C6H7Cl2N3O/c1-11(2)4-3(7)5(12)10-6(8)9-4/h1-2H3,(H,9,10,12)
InChIKeyPRVWKMPZDKWROA-UHFFFAOYSA-N
XLogP1.14
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.05
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(dimethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2,5-dichloro-4-(dimethylamino)-1H-pyrimidin-6-one (CID 153387338) is 2,5-dichloro-4-(dimethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-dichloro-4-(dimethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-dichloro-4-(dimethylamino)-1H-pyrimidin-6-one is CN(C)c1nc(Cl)[nH]c(=O)c1Cl.
What is the InChIKey of 2,5-dichloro-4-(dimethylamino)-1H-pyrimidin-6-one?
The InChIKey is PRVWKMPZDKWROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N3O/c1-11(2)4-3(7)5(12)10-6(8)9-4/h1-2H3,(H,9,10,12).
What are the key properties of 2,5-dichloro-4-(dimethylamino)-1H-pyrimidin-6-one?
2,5-dichloro-4-(dimethylamino)-1H-pyrimidin-6-one has a molecular weight of 208.05 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(dimethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 153387338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).