2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine

C11H19N7O2S — CID 106327651

IUPAC2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
SMILESCc1nc(NN)nc(NCCN2CCSCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H19N7O2S/c1-8-9(18(19)20)10(15-11(14-8)16-12)13-2-3-17-4-6-21-7-5-17/h2-7,12H2,1H3,(H2,13,14,15,16)
InChIKeyDDAZQQVJJDTIBS-UHFFFAOYSA-N
MW313.39 g/mol
LogP0.44
Rot. Bonds6

About 2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine

2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine (PubChem CID 106327651) has the molecular formula C11H19N7O2S and a molecular weight of 313.39 g/mol. Its IUPAC name is 2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
PubChem CID106327651
Molecular FormulaC11H19N7O2S
Molecular Weight313.39 g/mol
Exact Mass313.13
IUPAC Name2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
SMILESCc1nc(NN)nc(NCCN2CCSCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H19N7O2S/c1-8-9(18(19)20)10(15-11(14-8)16-12)13-2-3-17-4-6-21-7-5-17/h2-7,12H2,1H3,(H2,13,14,15,16)
InChIKeyDDAZQQVJJDTIBS-UHFFFAOYSA-N
XLogP0.44
TPSA122.24 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 50.44
H-Bond Donors ≤ 53
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'}

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Related Compounds

6-hydrazinyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106327655
2-N-methyl-5-nitro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 106327542
2-hydrazinyl-6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 114045044
N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine
CID 114045065
6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 103764691
2-hydrazinyl-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 114045033
1,1-difluoro-3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propan-2-ol
CID 114094055
4-[[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384288
2-chloro-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106326663
2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine
CID 18801447
2-[[2-(ethylamino)-6-methyl-5-nitropyrimidin-4-yl]amino]ethanol
CID 114044118
4-hydrazinyl-6-propoxy-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazin-2-amine
CID 106327660

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine (CID 106327651) is 2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine is Cc1nc(NN)nc(NCCN2CCSCC2)c1[N+](=O)[O-].
What is the InChIKey of 2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is DDAZQQVJJDTIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7O2S/c1-8-9(18(19)20)10(15-11(14-8)16-12)13-2-3-17-4-6-21-7-5-17/h2-7,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 313.39 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 106327651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).