N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine

C11H20N6O2 — CID 114045065

IUPACN-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine
SMILESCc1nc(NN)nc(NCC(C)C(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C11H20N6O2/c1-6(2)7(3)5-13-10-9(17(18)19)8(4)14-11(15-10)16-12/h6-7H,5,12H2,1-4H3,(H2,13,14,15,16)
InChIKeyCKXNRHDAOBXQRK-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.68
Rot. Bonds6

About N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine

N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine (PubChem CID 114045065) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine
PubChem CID114045065
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC NameN-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine
SMILESCc1nc(NN)nc(NCC(C)C(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C11H20N6O2/c1-6(2)7(3)5-13-10-9(17(18)19)8(4)14-11(15-10)16-12/h6-7H,5,12H2,1-4H3,(H2,13,14,15,16)
InChIKeyCKXNRHDAOBXQRK-UHFFFAOYSA-N
XLogP1.68
TPSA119.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.68
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

1,1-difluoro-3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propan-2-ol
CID 114094055
N-hexan-2-yl-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine
CID 114045013
2-hydrazinyl-N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyrimidin-4-amine
CID 114045068
3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163701
2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine
CID 18801447
2-hydrazinyl-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine
CID 114045206
2-hydrazinyl-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 114045033
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
4-[[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384288
N-(2,3-dimethylbutyl)-2-hydrazinylquinazolin-4-amine
CID 80917863
2-[[2-(ethylamino)-6-methyl-5-nitropyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347443

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine?
The IUPAC name of N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine (CID 114045065) is N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine is Cc1nc(NN)nc(NCC(C)C(C)C)c1[N+](=O)[O-].
What is the InChIKey of N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine?
The InChIKey is CKXNRHDAOBXQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-6(2)7(3)5-13-10-9(17(18)19)8(4)14-11(15-10)16-12/h6-7H,5,12H2,1-4H3,(H2,13,14,15,16).
What are the key properties of N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine?
N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine has a molecular weight of 268.32 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 114045065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).