6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine

C11H18N6O3 — CID 80896559

IUPAC6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine
SMILESCN(CC1CCCCO1)c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N6O3/c1-16(6-8-4-2-3-5-20-8)11-9(17(18)19)10(15-12)13-7-14-11/h7-8H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyCNCXVGWYMJQBMT-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.68
Rot. Bonds5

About 6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine

6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80896559) has the molecular formula C11H18N6O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine
PubChem CID80896559
Molecular FormulaC11H18N6O3
Molecular Weight282.30 g/mol
Exact Mass282.14
IUPAC Name6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine
SMILESCN(CC1CCCCO1)c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N6O3/c1-16(6-8-4-2-3-5-20-8)11-9(17(18)19)10(15-12)13-7-14-11/h7-8H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyCNCXVGWYMJQBMT-UHFFFAOYSA-N
XLogP0.68
TPSA119.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.68
H-Bond Donors ≤ 52
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-chloro-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62102507
N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80899454
6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidin-4-amine
CID 80906337
N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80944111
6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine
CID 80902263
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol
CID 80943199
N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80905890
3-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]propanenitrile
CID 80916272
6-hydrazinyl-N-methyl-5-nitro-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 80914009
4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80824410
N-(cyclopropylmethyl)-6-hydrazinyl-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 80905380
3,5-dichloro-6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 102761741

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine (CID 80896559) is 6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine is CN(CC1CCCCO1)c1ncnc(NN)c1[N+](=O)[O-].
What is the InChIKey of 6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is CNCXVGWYMJQBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O3/c1-16(6-8-4-2-3-5-20-8)11-9(17(18)19)10(15-12)13-7-14-11/h7-8H,2-6,12H2,1H3,(H,13,14,15).
What are the key properties of 6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine?
6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 282.30 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80896559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).