6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine

C10H18N6S — CID 80926536

IUPAC6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
SMILESNNc1cc(NCC2CCCCS2)nc(N)n1
InChIInChI=1S/C10H18N6S/c11-10-14-8(5-9(15-10)16-12)13-6-7-3-1-2-4-17-7/h5,7H,1-4,6,12H2,(H4,11,13,14,15,16)
InChIKeyWGVSWWKCSQJAFS-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.04
Rot. Bonds4

About 6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine

6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80926536) has the molecular formula C10H18N6S and a molecular weight of 254.36 g/mol. Its IUPAC name is 6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80926536
Molecular FormulaC10H18N6S
Molecular Weight254.36 g/mol
Exact Mass254.13
IUPAC Name6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
SMILESNNc1cc(NCC2CCCCS2)nc(N)n1
InChIInChI=1S/C10H18N6S/c11-10-14-8(5-9(15-10)16-12)13-6-7-3-1-2-4-17-7/h5,7H,1-4,6,12H2,(H4,11,13,14,15,16)
InChIKeyWGVSWWKCSQJAFS-UHFFFAOYSA-N
XLogP1.04
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80852734
6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775909
6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 80946656
2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80926454
6-N-(thian-2-ylmethyl)pyridine-2,6-diamine
CID 80646834
4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80852498
6-chloro-2-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80612105
6-chloro-2-N-(thiolan-2-ylmethyl)pyridine-2,4-diamine
CID 104924760
2-N-(thian-2-ylmethyl)pyridine-2,5-diamine
CID 80595595
2-tert-butyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80965810
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80910192
6-bromo-2-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
CID 116796124

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine (CID 80926536) is 6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine is NNc1cc(NCC2CCCCS2)nc(N)n1.
What is the InChIKey of 6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is WGVSWWKCSQJAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6S/c11-10-14-8(5-9(15-10)16-12)13-6-7-3-1-2-4-17-7/h5,7H,1-4,6,12H2,(H4,11,13,14,15,16).
What are the key properties of 6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine?
6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 254.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80926536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).