6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine

C13H23N5S — CID 80922985

IUPAC6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCSc1nc(NN)cc(NCC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C13H23N5S/c1-12(2)8(13(12,3)4)7-15-9-6-10(18-14)17-11(16-9)19-5/h6,8H,7,14H2,1-5H3,(H2,15,16,17,18)
InChIKeyJQYICVJUPCOMGT-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.58
Rot. Bonds5

About 6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine

6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine (PubChem CID 80922985) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
PubChem CID80922985
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCSc1nc(NN)cc(NCC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C13H23N5S/c1-12(2)8(13(12,3)4)7-15-9-6-10(18-14)17-11(16-9)19-5/h6,8H,7,14H2,1-5H3,(H2,15,16,17,18)
InChIKeyJQYICVJUPCOMGT-UHFFFAOYSA-N
XLogP2.58
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-hydrazinyl-N-[(3-methylcyclopentyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 107416021
3-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106138701
N-(2,3-dimethylbutyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80918315
1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol
CID 80907263
6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-2-methylsulfanylpyrimidin-4-amine
CID 102909009
6-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4,6-triamine
CID 80848372
N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80932956
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80903962
6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 106379019
N'-ethyl-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 80919066
4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80921541
N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80926174

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine (CID 80922985) is 6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine is CSc1nc(NN)cc(NCC2C(C)(C)C2(C)C)n1.
What is the InChIKey of 6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
The InChIKey is JQYICVJUPCOMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-12(2)8(13(12,3)4)7-15-9-6-10(18-14)17-11(16-9)19-5/h6,8H,7,14H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine has a molecular weight of 281.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80922985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).