2-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine

C11H20N6O2 — CID 114044982

IUPAC2-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)CN(c1nc(NN)ncc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C11H20N6O2/c1-7(2)6-16(8(3)4)10-9(17(18)19)5-13-11(14-10)15-12/h5,7-8H,6,12H2,1-4H3,(H,13,14,15)
InChIKeyUSTFBFUOPALXED-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.54
Rot. Bonds6

About 2-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine

2-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine (PubChem CID 114044982) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
PubChem CID114044982
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name2-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)CN(c1nc(NN)ncc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C11H20N6O2/c1-7(2)6-16(8(3)4)10-9(17(18)19)5-13-11(14-10)15-12/h5,7-8H,6,12H2,1-4H3,(H,13,14,15)
InChIKeyUSTFBFUOPALXED-UHFFFAOYSA-N
XLogP1.54
TPSA110.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
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

2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 114045169
2-hydrazinyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-4-amine
CID 80904714
6-hydrazinyl-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80902169
6-N-methyl-4-N-(2-methylpropyl)-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80820646
N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]-5-nitropyridine-3-carboximidamide
CID 62099214
[4-(4-methylphenoxy)-5-nitropyrimidin-2-yl]hydrazine
CID 114045144
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80904213
(2S)-2-[(4-amino-5-nitropyrimidin-2-yl)amino]-4-methylpentan-1-ol
CID 95342169
5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine
CID 107871847
6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine
CID 80929018
6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 23493001
2-hydrazinyl-6-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-4-amine
CID 80904244

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine (CID 114044982) is 2-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine is CC(C)CN(c1nc(NN)ncc1[N+](=O)[O-])C(C)C.
What is the InChIKey of 2-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is USTFBFUOPALXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-7(2)6-16(8(3)4)10-9(17(18)19)5-13-11(14-10)15-12/h5,7-8H,6,12H2,1-4H3,(H,13,14,15).
What are the key properties of 2-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine?
2-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 268.32 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 114044982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).