2-hydrazinyl-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine

C10H14N8O2 — CID 114045033

IUPAC2-hydrazinyl-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine
SMILESCc1nc(NN)nc(NCc2nccn2C)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N8O2/c1-6-8(18(19)20)9(15-10(14-6)16-11)13-5-7-12-3-4-17(7)2/h3-4H,5,11H2,1-2H3,(H2,13,14,15,16)
InChIKeyNMLIYLAOOQPOEL-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.32
Rot. Bonds5

About 2-hydrazinyl-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine

2-hydrazinyl-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine (PubChem CID 114045033) has the molecular formula C10H14N8O2 and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-hydrazinyl-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine
PubChem CID114045033
Molecular FormulaC10H14N8O2
Molecular Weight278.28 g/mol
Exact Mass278.12
IUPAC Name2-hydrazinyl-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine
SMILESCc1nc(NN)nc(NCc2nccn2C)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N8O2/c1-6-8(18(19)20)9(15-10(14-6)16-11)13-5-7-12-3-4-17(7)2/h3-4H,5,11H2,1-2H3,(H2,13,14,15,16)
InChIKeyNMLIYLAOOQPOEL-UHFFFAOYSA-N
XLogP0.32
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine
CID 81138648
5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80914824
4-N-[(1-methylimidazol-2-yl)methyl]-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80814642
4-[[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384288
N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine
CID 114045065
6-hydrazinyl-2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80913792
2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106327651
2-hydrazinyl-6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 114045044
3-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 83062959
4-ethoxy-6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 80914033
1,1-difluoro-3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propan-2-ol
CID 114094055
1-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-nitro-3-propan-2-ylpyrazol-5-amine
CID 66019173

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine (CID 114045033) is 2-hydrazinyl-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine is Cc1nc(NN)nc(NCc2nccn2C)c1[N+](=O)[O-].
What is the InChIKey of 2-hydrazinyl-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine?
The InChIKey is NMLIYLAOOQPOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N8O2/c1-6-8(18(19)20)9(15-10(14-6)16-11)13-5-7-12-3-4-17(7)2/h3-4H,5,11H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-hydrazinyl-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine?
2-hydrazinyl-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine has a molecular weight of 278.28 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine is sourced from PubChem (CID 114045033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).