N,N-dimethyl-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine

C16H14N4O3 — CID 23479852

IUPACN,N-dimethyl-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine
SMILESCN(C)c1ncnc(Oc2cccc3ccccc23)c1[N+](=O)[O-]
InChIInChI=1S/C16H14N4O3/c1-19(2)15-14(20(21)22)16(18-10-17-15)23-13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3
InChIKeyYBYYTFHBYJAXCQ-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.40
Rot. Bonds4

About N,N-dimethyl-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine

N,N-dimethyl-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine (PubChem CID 23479852) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N,N-dimethyl-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine
PubChem CID23479852
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN,N-dimethyl-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine
SMILESCN(C)c1ncnc(Oc2cccc3ccccc23)c1[N+](=O)[O-]
InChIInChI=1S/C16H14N4O3/c1-19(2)15-14(20(21)22)16(18-10-17-15)23-13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3
InChIKeyYBYYTFHBYJAXCQ-UHFFFAOYSA-N
XLogP3.40
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
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

N-ethyl-6-naphthalen-1-yloxy-5-nitro-N-phenylpyrimidin-4-amine
CID 23478138
2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline
CID 23479881
1-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)azepane
CID 23479857
4-(3,5-dimethylpyrazol-1-yl)-6-naphthalen-1-yloxy-5-nitropyrimidine
CID 23480045
N-(3,5-dimethylphenyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine
CID 23479337
N-benzyl-N-methyl-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine
CID 23477965
N-[4-[(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)amino]phenyl]acetamide
CID 23480000
6-ethoxy-N-ethyl-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
CID 23484492
N-(5-bromo-2-pyridinyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine
CID 23479921
8-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)oxyquinoline
CID 23493774
ethyl 3-[(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)amino]benzoate
CID 23480002
2,4-dichloro-N'-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)benzohydrazide
CID 23479972

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine (CID 23479852) is N,N-dimethyl-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine is CN(C)c1ncnc(Oc2cccc3ccccc23)c1[N+](=O)[O-].
What is the InChIKey of N,N-dimethyl-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine?
The InChIKey is YBYYTFHBYJAXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-19(2)15-14(20(21)22)16(18-10-17-15)23-13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3.
What are the key properties of N,N-dimethyl-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine?
N,N-dimethyl-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine has a molecular weight of 310.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23479852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).