6-hydrazinyl-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine

C10H11N7O2 — CID 22534751

IUPAC6-hydrazinyl-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc(NN)c2[N+](=O)[O-])nc1
InChIInChI=1S/C10H11N7O2/c1-6-2-3-7(12-4-6)15-9-8(17(18)19)10(16-11)14-5-13-9/h2-5H,11H2,1H3,(H2,12,13,14,15,16)
InChIKeyHKMSBJAJDOGCAC-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.12
Rot. Bonds4

About 6-hydrazinyl-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine

6-hydrazinyl-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine (PubChem CID 22534751) has the molecular formula C10H11N7O2 and a molecular weight of 261.25 g/mol. Its IUPAC name is 6-hydrazinyl-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
PubChem CID22534751
Molecular FormulaC10H11N7O2
Molecular Weight261.25 g/mol
Exact Mass261.10
IUPAC Name6-hydrazinyl-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc(NN)c2[N+](=O)[O-])nc1
InChIInChI=1S/C10H11N7O2/c1-6-2-3-7(12-4-6)15-9-8(17(18)19)10(16-11)14-5-13-9/h2-5H,11H2,1H3,(H2,12,13,14,15,16)
InChIKeyHKMSBJAJDOGCAC-UHFFFAOYSA-N
XLogP1.12
TPSA131.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-N-(4-chlorophenyl)-4-N-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 22533008
4-N-cyclopentyl-6-N-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 22538262
4-methyl-N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide
CID 22536920
4-N-(2,5-difluorophenyl)-6-N-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 22538259
methyl 4-[[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]amino]benzoate
CID 22533762
4-N-(5-methyl-2-pyridinyl)-5-nitro-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 22538256
4-N-(1,3-benzothiazol-2-yl)-6-N-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 22528579
4-N-(5-chloro-2-methoxyphenyl)-6-N-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 23484726
N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22536714
6-N-(5-bromo-2-pyridinyl)-4-N-(2,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23485703
N-(5-methyl-2-pyridinyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 23490569
2-[ethyl-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]amino]ethanol
CID 23493223

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine (CID 22534751) is 6-hydrazinyl-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine is Cc1ccc(Nc2ncnc(NN)c2[N+](=O)[O-])nc1.
What is the InChIKey of 6-hydrazinyl-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine?
The InChIKey is HKMSBJAJDOGCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O2/c1-6-2-3-7(12-4-6)15-9-8(17(18)19)10(16-11)14-5-13-9/h2-5H,11H2,1H3,(H2,12,13,14,15,16).
What are the key properties of 6-hydrazinyl-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine?
6-hydrazinyl-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine has a molecular weight of 261.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 22534751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).