2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine

C11H19N5S — CID 80926454

IUPAC2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCC2CCCCS2)nc(NN)n1
InChIInChI=1S/C11H19N5S/c1-8-6-10(15-11(14-8)16-12)13-7-9-4-2-3-5-17-9/h6,9H,2-5,7,12H2,1H3,(H2,13,14,15,16)
InChIKeyUVNAAPKSWGXXDR-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.77
Rot. Bonds4

About 2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine

2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80926454) has the molecular formula C11H19N5S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
PubChem CID80926454
Molecular FormulaC11H19N5S
Molecular Weight253.37 g/mol
Exact Mass253.14
IUPAC Name2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCC2CCCCS2)nc(NN)n1
InChIInChI=1S/C11H19N5S/c1-8-6-10(15-11(14-8)16-12)13-7-9-4-2-3-5-17-9/h6,9H,2-5,7,12H2,1H3,(H2,13,14,15,16)
InChIKeyUVNAAPKSWGXXDR-UHFFFAOYSA-N
XLogP1.77
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.77
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-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
CID 80926536
6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80612498
2-hydrazinyl-6-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107298910
6-chloro-2-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80612105
2-hydrazinyl-6-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107421322
6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775909
6-ethyl-2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334706
6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80852734
6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 80946656
6-chloro-2-N-(thiolan-2-ylmethyl)pyridine-2,4-diamine
CID 104924760
2-tert-butyl-6-chloro-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80951538
4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80926866

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine (CID 80926454) is 2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine is Cc1cc(NCC2CCCCS2)nc(NN)n1.
What is the InChIKey of 2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is UVNAAPKSWGXXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c1-8-6-10(15-11(14-8)16-12)13-7-9-4-2-3-5-17-9/h6,9H,2-5,7,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine?
2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 253.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80926454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).