N-pyrimidin-5-yl-1-thiophen-3-ylmethanimine

C9H7N3S — CID 131238198

IUPACN-pyrimidin-5-yl-1-thiophen-3-ylmethanimine
SMILESC(=N/c1cncnc1)\c1ccsc1
InChIInChI=1S/C9H7N3S/c1-2-13-6-8(1)3-12-9-4-10-7-11-5-9/h1-7H/b12-3+
InChIKeyNHRLSCIZLJWBQK-KGVSQERTSA-N
MW189.24 g/mol
LogP2.29
Rot. Bonds2

About N-pyrimidin-5-yl-1-thiophen-3-ylmethanimine

N-pyrimidin-5-yl-1-thiophen-3-ylmethanimine (PubChem CID 131238198) has the molecular formula C9H7N3S and a molecular weight of 189.24 g/mol. Its IUPAC name is N-pyrimidin-5-yl-1-thiophen-3-ylmethanimine.

Molecular Properties

Compound NameN-pyrimidin-5-yl-1-thiophen-3-ylmethanimine
PubChem CID131238198
Molecular FormulaC9H7N3S
Molecular Weight189.24 g/mol
Exact Mass189.04
IUPAC NameN-pyrimidin-5-yl-1-thiophen-3-ylmethanimine
SMILESC(=N/c1cncnc1)\c1ccsc1
InChIInChI=1S/C9H7N3S/c1-2-13-6-8(1)3-12-9-4-10-7-11-5-9/h1-7H/b12-3+
InChIKeyNHRLSCIZLJWBQK-KGVSQERTSA-N
XLogP2.29
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-5-yl-1-thiophen-3-ylmethanimine?
The IUPAC name of N-pyrimidin-5-yl-1-thiophen-3-ylmethanimine (CID 131238198) is N-pyrimidin-5-yl-1-thiophen-3-ylmethanimine.
What is the SMILES notation for N-pyrimidin-5-yl-1-thiophen-3-ylmethanimine?
The canonical SMILES for N-pyrimidin-5-yl-1-thiophen-3-ylmethanimine is C(=N/c1cncnc1)\c1ccsc1.
What is the InChIKey of N-pyrimidin-5-yl-1-thiophen-3-ylmethanimine?
The InChIKey is NHRLSCIZLJWBQK-KGVSQERTSA-N. The full InChI is InChI=1S/C9H7N3S/c1-2-13-6-8(1)3-12-9-4-10-7-11-5-9/h1-7H/b12-3+.
What are the key properties of N-pyrimidin-5-yl-1-thiophen-3-ylmethanimine?
N-pyrimidin-5-yl-1-thiophen-3-ylmethanimine has a molecular weight of 189.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-5-yl-1-thiophen-3-ylmethanimine is sourced from PubChem (CID 131238198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).