N,N-dimethyl-5-nitropyrimidin-2-amine

C6H8N4O2 — CID 597701

IUPACN,N-dimethyl-5-nitropyrimidin-2-amine
SMILESCN(C)c1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C6H8N4O2/c1-9(2)6-7-3-5(4-8-6)10(11)12/h3-4H,1-2H3
InChIKeyIFFZVNFNYKKNFB-UHFFFAOYSA-N
MW168.16 g/mol
LogP0.45
Rot. Bonds2

About N,N-dimethyl-5-nitropyrimidin-2-amine

N,N-dimethyl-5-nitropyrimidin-2-amine (PubChem CID 597701) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is N,N-dimethyl-5-nitropyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-nitropyrimidin-2-amine
PubChem CID597701
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC NameN,N-dimethyl-5-nitropyrimidin-2-amine
SMILESCN(C)c1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C6H8N4O2/c1-9(2)6-7-3-5(4-8-6)10(11)12/h3-4H,1-2H3
InChIKeyIFFZVNFNYKKNFB-UHFFFAOYSA-N
XLogP0.45
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-nitropyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-5-nitropyrimidin-2-amine (CID 597701) is N,N-dimethyl-5-nitropyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-nitropyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-5-nitropyrimidin-2-amine is CN(C)c1ncc([N+](=O)[O-])cn1.
What is the InChIKey of N,N-dimethyl-5-nitropyrimidin-2-amine?
The InChIKey is IFFZVNFNYKKNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-9(2)6-7-3-5(4-8-6)10(11)12/h3-4H,1-2H3.
What are the key properties of N,N-dimethyl-5-nitropyrimidin-2-amine?
N,N-dimethyl-5-nitropyrimidin-2-amine has a molecular weight of 168.16 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-nitropyrimidin-2-amine is sourced from PubChem (CID 597701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).