6-methyl-5-nitro-2-N,4-N-dipyridin-2-ylpyrimidine-2,4-diamine

C15H13N7O2 — CID 4657246

IUPAC6-methyl-5-nitro-2-N,4-N-dipyridin-2-ylpyrimidine-2,4-diamine
SMILESCc1nc(Nc2ccccn2)nc(Nc2ccccn2)c1[N+](=O)[O-]
InChIInChI=1S/C15H13N7O2/c1-10-13(22(23)24)14(19-11-6-2-4-8-16-11)21-15(18-10)20-12-7-3-5-9-17-12/h2-9H,1H3,(H2,16,17,18,19,20,21)
InChIKeyRETONTNZTSMTNZ-UHFFFAOYSA-N
MW323.32 g/mol
LogP2.97
Rot. Bonds5

About 6-methyl-5-nitro-2-N,4-N-dipyridin-2-ylpyrimidine-2,4-diamine

6-methyl-5-nitro-2-N,4-N-dipyridin-2-ylpyrimidine-2,4-diamine (PubChem CID 4657246) has the molecular formula C15H13N7O2 and a molecular weight of 323.32 g/mol. Its IUPAC name is 6-methyl-5-nitro-2-N,4-N-dipyridin-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-5-nitro-2-N,4-N-dipyridin-2-ylpyrimidine-2,4-diamine
PubChem CID4657246
Molecular FormulaC15H13N7O2
Molecular Weight323.32 g/mol
Exact Mass323.11
IUPAC Name6-methyl-5-nitro-2-N,4-N-dipyridin-2-ylpyrimidine-2,4-diamine
SMILESCc1nc(Nc2ccccn2)nc(Nc2ccccn2)c1[N+](=O)[O-]
InChIInChI=1S/C15H13N7O2/c1-10-13(22(23)24)14(19-11-6-2-4-8-16-11)21-15(18-10)20-12-7-3-5-9-17-12/h2-9H,1H3,(H2,16,17,18,19,20,21)
InChIKeyRETONTNZTSMTNZ-UHFFFAOYSA-N
XLogP2.97
TPSA118.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-nitro-4-N,6-N-dipyridin-2-ylpyrimidine-4,6-diamine
CID 3623508
6-methyl-2-N,4-N-bis(2-methylphenyl)-5-nitropyrimidine-2,4-diamine
CID 3119600
2-N,4-N-bis(2-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine
CID 2852163
3,5-dinitro-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine
CID 2846765
silver;tetrakis(N-pyridin-2-ylpyridin-2-amine);nitrate
CID 139086290
2-[[4-(4-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]phenol
CID 3284100
1-[4-[(4-anilino-6-methyl-5-nitropyrimidin-2-yl)amino]phenyl]ethanone
CID 3387351
4-[[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-6-methyl-5-nitropyrimidin-4-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 3119599
5-nitro-4-N-pyridin-2-yl-6-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 22527227
4-[[2-(4-carbamoylanilino)-6-methyl-5-nitropyrimidin-4-yl]amino]benzamide
CID 2859302
4-N-(2-methoxyphenyl)-6-methyl-2-N-naphthalen-1-yl-5-nitropyrimidine-2,4-diamine
CID 3097075
6-N-(2-methoxyethyl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 22531057

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-nitro-2-N,4-N-dipyridin-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-5-nitro-2-N,4-N-dipyridin-2-ylpyrimidine-2,4-diamine (CID 4657246) is 6-methyl-5-nitro-2-N,4-N-dipyridin-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-5-nitro-2-N,4-N-dipyridin-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-5-nitro-2-N,4-N-dipyridin-2-ylpyrimidine-2,4-diamine is Cc1nc(Nc2ccccn2)nc(Nc2ccccn2)c1[N+](=O)[O-].
What is the InChIKey of 6-methyl-5-nitro-2-N,4-N-dipyridin-2-ylpyrimidine-2,4-diamine?
The InChIKey is RETONTNZTSMTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O2/c1-10-13(22(23)24)14(19-11-6-2-4-8-16-11)21-15(18-10)20-12-7-3-5-9-17-12/h2-9H,1H3,(H2,16,17,18,19,20,21).
What are the key properties of 6-methyl-5-nitro-2-N,4-N-dipyridin-2-ylpyrimidine-2,4-diamine?
6-methyl-5-nitro-2-N,4-N-dipyridin-2-ylpyrimidine-2,4-diamine has a molecular weight of 323.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-nitro-2-N,4-N-dipyridin-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 4657246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).