N-(2,5-dichloropyrimidin-4-yl)-5-methyl-1,2-oxazol-3-amine

C8H6Cl2N4O — CID 59586795

IUPACN-(2,5-dichloropyrimidin-4-yl)-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(Nc2nc(Cl)ncc2Cl)no1
InChIInChI=1S/C8H6Cl2N4O/c1-4-2-6(14-15-4)12-7-5(9)3-11-8(10)13-7/h2-3H,1H3,(H,11,12,13,14)
InChIKeyDZBFDMZCVZXQFK-UHFFFAOYSA-N
MW245.07 g/mol
LogP2.82
Rot. Bonds2

About N-(2,5-dichloropyrimidin-4-yl)-5-methyl-1,2-oxazol-3-amine

N-(2,5-dichloropyrimidin-4-yl)-5-methyl-1,2-oxazol-3-amine (PubChem CID 59586795) has the molecular formula C8H6Cl2N4O and a molecular weight of 245.07 g/mol. Its IUPAC name is N-(2,5-dichloropyrimidin-4-yl)-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-(2,5-dichloropyrimidin-4-yl)-5-methyl-1,2-oxazol-3-amine
PubChem CID59586795
Molecular FormulaC8H6Cl2N4O
Molecular Weight245.07 g/mol
Exact Mass243.99
IUPAC NameN-(2,5-dichloropyrimidin-4-yl)-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(Nc2nc(Cl)ncc2Cl)no1
InChIInChI=1S/C8H6Cl2N4O/c1-4-2-6(14-15-4)12-7-5(9)3-11-8(10)13-7/h2-3H,1H3,(H,11,12,13,14)
InChIKeyDZBFDMZCVZXQFK-UHFFFAOYSA-N
XLogP2.82
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloropyrimidin-4-yl)-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-(2,5-dichloropyrimidin-4-yl)-5-methyl-1,2-oxazol-3-amine (CID 59586795) is N-(2,5-dichloropyrimidin-4-yl)-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-(2,5-dichloropyrimidin-4-yl)-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-(2,5-dichloropyrimidin-4-yl)-5-methyl-1,2-oxazol-3-amine is Cc1cc(Nc2nc(Cl)ncc2Cl)no1.
What is the InChIKey of N-(2,5-dichloropyrimidin-4-yl)-5-methyl-1,2-oxazol-3-amine?
The InChIKey is DZBFDMZCVZXQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N4O/c1-4-2-6(14-15-4)12-7-5(9)3-11-8(10)13-7/h2-3H,1H3,(H,11,12,13,14).
What are the key properties of N-(2,5-dichloropyrimidin-4-yl)-5-methyl-1,2-oxazol-3-amine?
N-(2,5-dichloropyrimidin-4-yl)-5-methyl-1,2-oxazol-3-amine has a molecular weight of 245.07 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloropyrimidin-4-yl)-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 59586795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).