3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol

C10H18N6O3S — CID 106163701

IUPAC3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1nc(NN)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H18N6O3S/c1-5(7(4-17)20-3)12-9-8(16(18)19)6(2)13-10(14-9)15-11/h5,7,17H,4,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyHWPXYTVIRVFCRX-UHFFFAOYSA-N
MW302.36 g/mol
LogP0.50
Rot. Bonds7

About 3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol

3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol (PubChem CID 106163701) has the molecular formula C10H18N6O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
PubChem CID106163701
Molecular FormulaC10H18N6O3S
Molecular Weight302.36 g/mol
Exact Mass302.12
IUPAC Name3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1nc(NN)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H18N6O3S/c1-5(7(4-17)20-3)12-9-8(16(18)19)6(2)13-10(14-9)15-11/h5,7,17H,4,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyHWPXYTVIRVFCRX-UHFFFAOYSA-N
XLogP0.50
TPSA139.23 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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 3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol with MolForge

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Related Compounds

2-hydrazinyl-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine
CID 114045206
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
methyl 2-[[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]amino]-6-methyl-3-nitropyridine-4-carboxylate
CID 124855776
N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine
CID 114045065
3-(3-hydrazinyl-2-nitroanilino)-2-methylsulfanylbutan-1-ol
CID 106163685
1,1-difluoro-3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propan-2-ol
CID 114094055
3-[(6-methyl-5-nitro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
CID 103764733
3-(3-methyl-2-nitroanilino)-2-methylsulfanylbutan-1-ol
CID 102605201
3-[(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106158864
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163694
3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163716

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol (CID 106163701) is 3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)Nc1nc(NN)nc(C)c1[N+](=O)[O-].
What is the InChIKey of 3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is HWPXYTVIRVFCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O3S/c1-5(7(4-17)20-3)12-9-8(16(18)19)6(2)13-10(14-9)15-11/h5,7,17H,4,11H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 302.36 g/mol, XLogP of 0.50, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106163701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).