N-naphthalen-2-yl-5-nitropyrimidin-2-amine

C14H10N4O2 — CID 2863534

IUPACN-naphthalen-2-yl-5-nitropyrimidin-2-amine
SMILESO=[N+]([O-])c1cnc(Nc2ccc3ccccc3c2)nc1
InChIInChI=1S/C14H10N4O2/c19-18(20)13-8-15-14(16-9-13)17-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H,15,16,17)
InChIKeyNZGSVFOSDLOGMC-UHFFFAOYSA-N
MW266.26 g/mol
LogP3.28
Rot. Bonds3

About N-naphthalen-2-yl-5-nitropyrimidin-2-amine

N-naphthalen-2-yl-5-nitropyrimidin-2-amine (PubChem CID 2863534) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-naphthalen-2-yl-5-nitropyrimidin-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-5-nitropyrimidin-2-amine
PubChem CID2863534
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC NameN-naphthalen-2-yl-5-nitropyrimidin-2-amine
SMILESO=[N+]([O-])c1cnc(Nc2ccc3ccccc3c2)nc1
InChIInChI=1S/C14H10N4O2/c19-18(20)13-8-15-14(16-9-13)17-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H,15,16,17)
InChIKeyNZGSVFOSDLOGMC-UHFFFAOYSA-N
XLogP3.28
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
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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Related Compounds

5-iodo-N-naphthalen-2-ylpyrimidin-2-amine
CID 116648943
3-[(5-nitropyrimidin-2-yl)amino]benzoic acid
CID 61147349
2-fluoro-4-[(5-nitropyrimidin-2-yl)amino]benzoic acid
CID 107793335
2-N-(4-nitrophenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 20826973
1-N-naphthalen-2-yl-4-nitrobenzene-1,3-diamine
CID 106751534
2-N-(4-nitrophenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 71593523
N,N-diethyl-4-[(5-nitropyrimidin-2-yl)amino]benzamide
CID 133467286
N-(4-butylphenyl)-5-nitropyrimidin-2-amine
CID 133466896
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
5-nitro-N-[(3-nitrophenyl)methylideneamino]pyrimidin-2-amine
CID 171665795
N-(3-bromophenyl)-6-nitroquinazolin-2-amine
CID 142646683
1-(5-nitropyrimidin-2-yl)-3-phenylthiourea
CID 171396621

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-5-nitropyrimidin-2-amine?
The IUPAC name of N-naphthalen-2-yl-5-nitropyrimidin-2-amine (CID 2863534) is N-naphthalen-2-yl-5-nitropyrimidin-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-5-nitropyrimidin-2-amine?
The canonical SMILES for N-naphthalen-2-yl-5-nitropyrimidin-2-amine is O=[N+]([O-])c1cnc(Nc2ccc3ccccc3c2)nc1.
What is the InChIKey of N-naphthalen-2-yl-5-nitropyrimidin-2-amine?
The InChIKey is NZGSVFOSDLOGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c19-18(20)13-8-15-14(16-9-13)17-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H,15,16,17).
What are the key properties of N-naphthalen-2-yl-5-nitropyrimidin-2-amine?
N-naphthalen-2-yl-5-nitropyrimidin-2-amine has a molecular weight of 266.26 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-5-nitropyrimidin-2-amine is sourced from PubChem (CID 2863534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).