2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine

C11H20N6O2 — CID 114045169

IUPAC2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
SMILESCC(CNc1nc(NN)ncc1[N+](=O)[O-])C(C)(C)C
InChIInChI=1S/C11H20N6O2/c1-7(11(2,3)4)5-13-9-8(17(18)19)6-14-10(15-9)16-12/h6-7H,5,12H2,1-4H3,(H2,13,14,15,16)
InChIKeyQDMHJMUTNIHXRL-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.76
Rot. Bonds5

About 2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine

2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine (PubChem CID 114045169) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
PubChem CID114045169
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
SMILESCC(CNc1nc(NN)ncc1[N+](=O)[O-])C(C)(C)C
InChIInChI=1S/C11H20N6O2/c1-7(11(2,3)4)5-13-9-8(17(18)19)6-14-10(15-9)16-12/h6-7H,5,12H2,1-4H3,(H2,13,14,15,16)
InChIKeyQDMHJMUTNIHXRL-UHFFFAOYSA-N
XLogP1.76
TPSA119.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106280909
N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
CID 106013089
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
CID 106043390
2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 114045034
2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 106026114
2-hydrazinyl-5-nitro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 114045249
2-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 114044982
3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103690
3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138799
2-chloro-5-nitro-N-(2-prop-2-enoxypropyl)pyrimidin-4-amine
CID 114265069
2-hydrazinyl-6-methyl-N-(2,3,3-trimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335556
5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 83147667

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine (CID 114045169) is 2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine is CC(CNc1nc(NN)ncc1[N+](=O)[O-])C(C)(C)C.
What is the InChIKey of 2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine?
The InChIKey is QDMHJMUTNIHXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-7(11(2,3)4)5-13-9-8(17(18)19)6-14-10(15-9)16-12/h6-7H,5,12H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine?
2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine has a molecular weight of 268.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 114045169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).