N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine

C12H17N5OS — CID 80896307

IUPACN-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCN(Cc1ccco1)c1cc(NN)nc(SC)n1
InChIInChI=1S/C12H17N5OS/c1-3-17(8-9-5-4-6-18-9)11-7-10(16-13)14-12(15-11)19-2/h4-7H,3,8,13H2,1-2H3,(H,14,15,16)
InChIKeyPQQSMQPSCQRXTI-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.10
Rot. Bonds6

About N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine

N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80896307) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80896307
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC NameN-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCN(Cc1ccco1)c1cc(NN)nc(SC)n1
InChIInChI=1S/C12H17N5OS/c1-3-17(8-9-5-4-6-18-9)11-7-10(16-13)14-12(15-11)19-2/h4-7H,3,8,13H2,1-2H3,(H,14,15,16)
InChIKeyPQQSMQPSCQRXTI-UHFFFAOYSA-N
XLogP2.10
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
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

2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80895810
1-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80923771
4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80796536
2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 80896124
4-N-ethyl-6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80838856
N-ethyl-6-hydrazinyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80899281
4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564325
N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 115416612
6-N-ethyl-4-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80765455
3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 115001296
6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80906376
6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80907218

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine (CID 80896307) is N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine is CCN(Cc1ccco1)c1cc(NN)nc(SC)n1.
What is the InChIKey of N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is PQQSMQPSCQRXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-3-17(8-9-5-4-6-18-9)11-7-10(16-13)14-12(15-11)19-2/h4-7H,3,8,13H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 279.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80896307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).