N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine

C12H12N4O3 — CID 80875231

IUPACN,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine
SMILESCNc1cc(Oc2ccccc2[N+](=O)[O-])nc(C)n1
InChIInChI=1S/C12H12N4O3/c1-8-14-11(13-2)7-12(15-8)19-10-6-4-3-5-9(10)16(17)18/h3-7H,1-2H3,(H,13,14,15)
InChIKeyYPWKJQALHQMIKF-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.53
Rot. Bonds4

About N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine

N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine (PubChem CID 80875231) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine
PubChem CID80875231
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine
SMILESCNc1cc(Oc2ccccc2[N+](=O)[O-])nc(C)n1
InChIInChI=1S/C12H12N4O3/c1-8-14-11(13-2)7-12(15-8)19-10-6-4-3-5-9(10)16(17)18/h3-7H,1-2H3,(H,13,14,15)
InChIKeyYPWKJQALHQMIKF-UHFFFAOYSA-N
XLogP2.53
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80874565
6-(2-methoxy-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80878849
N,2-dimethyl-6-(2-propoxyphenoxy)pyrimidin-4-amine
CID 80863011
[6-(4-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80911771
2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875828
6-(2-butan-2-ylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80881121
6-(2-nitrophenoxy)pyrimidine-2,4-diamine
CID 80875321
N-methyl-8-(2-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80875312
6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine
CID 80866646
2-tert-butyl-4-chloro-6-(2-nitrophenoxy)pyrimidine
CID 80943264
N-ethyl-6-(2-nitrophenoxy)pyridin-2-amine
CID 80875324
6-(4-bromo-2-nitrophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80939103

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine (CID 80875231) is N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine is CNc1cc(Oc2ccccc2[N+](=O)[O-])nc(C)n1.
What is the InChIKey of N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine?
The InChIKey is YPWKJQALHQMIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-8-14-11(13-2)7-12(15-8)19-10-6-4-3-5-9(10)16(17)18/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine?
N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine has a molecular weight of 260.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80875231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).