2-hydrazinyl-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine

C10H18N6O2S — CID 114045206

IUPAC2-hydrazinyl-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine
SMILESCCC(CSC)Nc1nc(NN)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H18N6O2S/c1-4-7(5-19-3)13-9-8(16(17)18)6(2)12-10(14-9)15-11/h7H,4-5,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyCYQJPEJSKHEKAF-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.53
Rot. Bonds7

About 2-hydrazinyl-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine

2-hydrazinyl-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine (PubChem CID 114045206) has the molecular formula C10H18N6O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-hydrazinyl-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine
PubChem CID114045206
Molecular FormulaC10H18N6O2S
Molecular Weight286.36 g/mol
Exact Mass286.12
IUPAC Name2-hydrazinyl-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine
SMILESCCC(CSC)Nc1nc(NN)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H18N6O2S/c1-4-7(5-19-3)13-9-8(16(17)18)6(2)12-10(14-9)15-11/h7H,4-5,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyCYQJPEJSKHEKAF-UHFFFAOYSA-N
XLogP1.53
TPSA119.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.53
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-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163701
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
N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine
CID 114045065
1,1-difluoro-3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propan-2-ol
CID 114094055
2-[[2-(ethylamino)-6-methyl-5-nitropyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347443
2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine
CID 18801447
6-N-ethyl-2-methylsulfanyl-5-nitro-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 21400900
3-bromo-4-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyridin-2-amine
CID 104576590
[2-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol
CID 114179883
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

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine (CID 114045206) is 2-hydrazinyl-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine is CCC(CSC)Nc1nc(NN)nc(C)c1[N+](=O)[O-].
What is the InChIKey of 2-hydrazinyl-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine?
The InChIKey is CYQJPEJSKHEKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2S/c1-4-7(5-19-3)13-9-8(16(17)18)6(2)12-10(14-9)15-11/h7H,4-5,11H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-hydrazinyl-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine?
2-hydrazinyl-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine has a molecular weight of 286.36 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 114045206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).