4,6-dimethyl-2-nitrosopyrimidine

C6H7N3O — CID 14384659

IUPAC4,6-dimethyl-2-nitrosopyrimidine
SMILESCc1cc(C)nc(N=O)n1
InChIInChI=1S/C6H7N3O/c1-4-3-5(2)8-6(7-4)9-10/h3H,1-2H3
InChIKeyJFOBHDWODYIOAO-UHFFFAOYSA-N
MW137.14 g/mol
LogP1.49
Rot. Bonds1

About 4,6-dimethyl-2-nitrosopyrimidine

4,6-dimethyl-2-nitrosopyrimidine (PubChem CID 14384659) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 4,6-dimethyl-2-nitrosopyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-nitrosopyrimidine
PubChem CID14384659
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name4,6-dimethyl-2-nitrosopyrimidine
SMILESCc1cc(C)nc(N=O)n1
InChIInChI=1S/C6H7N3O/c1-4-3-5(2)8-6(7-4)9-10/h3H,1-2H3
InChIKeyJFOBHDWODYIOAO-UHFFFAOYSA-N
XLogP1.49
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-nitrosopyrimidine?
The IUPAC name of 4,6-dimethyl-2-nitrosopyrimidine (CID 14384659) is 4,6-dimethyl-2-nitrosopyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-nitrosopyrimidine?
The canonical SMILES for 4,6-dimethyl-2-nitrosopyrimidine is Cc1cc(C)nc(N=O)n1.
What is the InChIKey of 4,6-dimethyl-2-nitrosopyrimidine?
The InChIKey is JFOBHDWODYIOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c1-4-3-5(2)8-6(7-4)9-10/h3H,1-2H3.
What are the key properties of 4,6-dimethyl-2-nitrosopyrimidine?
4,6-dimethyl-2-nitrosopyrimidine has a molecular weight of 137.14 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-nitrosopyrimidine is sourced from PubChem (CID 14384659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).