4,6-dimethyl-2-[(2-sulfinohydrazinyl)methylamino]pyrimidine

C7H13N5O2S — CID 163916214

IUPAC4,6-dimethyl-2-[(2-sulfinohydrazinyl)methylamino]pyrimidine
SMILESCc1cc(C)nc(NCNNS(=O)O)n1
InChIInChI=1S/C7H13N5O2S/c1-5-3-6(2)11-7(10-5)8-4-9-12-15(13)14/h3,9,12H,4H2,1-2H3,(H,13,14)(H,8,10,11)
InChIKeyZDSOYMSJRSQPJQ-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.31
Rot. Bonds5

About 4,6-dimethyl-2-[(2-sulfinohydrazinyl)methylamino]pyrimidine

4,6-dimethyl-2-[(2-sulfinohydrazinyl)methylamino]pyrimidine (PubChem CID 163916214) has the molecular formula C7H13N5O2S and a molecular weight of 231.28 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(2-sulfinohydrazinyl)methylamino]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[(2-sulfinohydrazinyl)methylamino]pyrimidine
PubChem CID163916214
Molecular FormulaC7H13N5O2S
Molecular Weight231.28 g/mol
Exact Mass231.08
IUPAC Name4,6-dimethyl-2-[(2-sulfinohydrazinyl)methylamino]pyrimidine
SMILESCc1cc(C)nc(NCNNS(=O)O)n1
InChIInChI=1S/C7H13N5O2S/c1-5-3-6(2)11-7(10-5)8-4-9-12-15(13)14/h3,9,12H,4H2,1-2H3,(H,13,14)(H,8,10,11)
InChIKeyZDSOYMSJRSQPJQ-UHFFFAOYSA-N
XLogP-0.31
TPSA99.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine
CID 115631573
4,6-dimethyl-N-(3-methylsulfinylbutyl)pyrimidin-2-amine
CID 115715766
1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol
CID 43395852
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethylacetamide
CID 43420785
tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate
CID 143675559
N-(2-bromoprop-2-enyl)-4,6-dimethylpyrimidin-2-amine
CID 115594943
tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate
CID 115611755
N-(4,6-dimethylpyrimidin-2-yl)hydroxylamine
CID 13144367
N-[1-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859356
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 61362808
N-(4,6-dimethylpyrimidin-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 155453170
2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid
CID 65226929

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(2-sulfinohydrazinyl)methylamino]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[(2-sulfinohydrazinyl)methylamino]pyrimidine (CID 163916214) is 4,6-dimethyl-2-[(2-sulfinohydrazinyl)methylamino]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[(2-sulfinohydrazinyl)methylamino]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[(2-sulfinohydrazinyl)methylamino]pyrimidine is Cc1cc(C)nc(NCNNS(=O)O)n1.
What is the InChIKey of 4,6-dimethyl-2-[(2-sulfinohydrazinyl)methylamino]pyrimidine?
The InChIKey is ZDSOYMSJRSQPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2S/c1-5-3-6(2)11-7(10-5)8-4-9-12-15(13)14/h3,9,12H,4H2,1-2H3,(H,13,14)(H,8,10,11).
What are the key properties of 4,6-dimethyl-2-[(2-sulfinohydrazinyl)methylamino]pyrimidine?
4,6-dimethyl-2-[(2-sulfinohydrazinyl)methylamino]pyrimidine has a molecular weight of 231.28 g/mol, XLogP of -0.31, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(2-sulfinohydrazinyl)methylamino]pyrimidine is sourced from PubChem (CID 163916214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).