6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine

C11H15N5S — CID 80913941

IUPAC6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(NN)c(C)c(NCc2ccsc2)n1
InChIInChI=1S/C11H15N5S/c1-7-10(13-5-9-3-4-17-6-9)14-8(2)15-11(7)16-12/h3-4,6H,5,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyKLTCMJXINNIQLQ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.05
Rot. Bonds4

About 6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine

6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine (PubChem CID 80913941) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
PubChem CID80913941
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(NN)c(C)c(NCc2ccsc2)n1
InChIInChI=1S/C11H15N5S/c1-7-10(13-5-9-3-4-17-6-9)14-8(2)15-11(7)16-12/h3-4,6H,5,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyKLTCMJXINNIQLQ-UHFFFAOYSA-N
XLogP2.05
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.05
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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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine (CID 80913941) is 6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine is Cc1nc(NN)c(C)c(NCc2ccsc2)n1.
What is the InChIKey of 6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is KLTCMJXINNIQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-7-10(13-5-9-3-4-17-6-9)14-8(2)15-11(7)16-12/h3-4,6H,5,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 249.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80913941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).