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

C10H18N6O3 — CID 114045068

IUPAC2-hydrazinyl-N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyrimidin-4-amine
SMILESCOCCC(C)Nc1nc(NN)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H18N6O3/c1-6(4-5-19-3)12-9-8(16(17)18)7(2)13-10(14-9)15-11/h6H,4-5,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyNQSPZNXUKUIYEK-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.82
Rot. Bonds7

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

2-hydrazinyl-N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyrimidin-4-amine (PubChem CID 114045068) has the molecular formula C10H18N6O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-hydrazinyl-N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyrimidin-4-amine
PubChem CID114045068
Molecular FormulaC10H18N6O3
Molecular Weight270.29 g/mol
Exact Mass270.14
IUPAC Name2-hydrazinyl-N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyrimidin-4-amine
SMILESCOCCC(C)Nc1nc(NN)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H18N6O3/c1-6(4-5-19-3)12-9-8(16(17)18)7(2)13-10(14-9)15-11/h6H,4-5,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyNQSPZNXUKUIYEK-UHFFFAOYSA-N
XLogP0.82
TPSA128.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.82
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'}

Analyze 2-hydrazinyl-N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyrimidin-4-amine with MolForge

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Related Compounds

N-hexan-2-yl-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine
CID 114045013
4-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidine-2,4-diamine
CID 114044198
3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163701
2-chloro-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidin-4-amine
CID 18801452
N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine
CID 114045065
2-hydrazinyl-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine
CID 114045206
2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine
CID 80914929
N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712210
5-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
CID 80915239
1,1-difluoro-3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propan-2-ol
CID 114094055
methyl 3-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)sulfanylpropanoate
CID 114045253
[4-methyl-5-nitro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]hydrazine
CID 114045195

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyrimidin-4-amine (CID 114045068) is 2-hydrazinyl-N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyrimidin-4-amine is COCCC(C)Nc1nc(NN)nc(C)c1[N+](=O)[O-].
What is the InChIKey of 2-hydrazinyl-N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyrimidin-4-amine?
The InChIKey is NQSPZNXUKUIYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O3/c1-6(4-5-19-3)12-9-8(16(17)18)7(2)13-10(14-9)15-11/h6H,4-5,11H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-hydrazinyl-N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyrimidin-4-amine?
2-hydrazinyl-N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyrimidin-4-amine has a molecular weight of 270.29 g/mol, XLogP of 0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 114045068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).