3-deuterio-2-ethenyl-4H-pyrimidine

C6H8N2 — CID 87130852

IUPAC3-deuterio-2-ethenyl-4H-pyrimidine
SMILES[2H]N1CC=CN=C1C=C
InChIInChI=1S/C6H8N2/c1-2-6-7-4-3-5-8-6/h2-4H,1,5H2,(H,7,8)/i/hD
InChIKeyRDXXCRXUIAEBPN-DYCDLGHISA-N
MW109.15 g/mol
LogP0.69
Rot. Bonds1

About 3-deuterio-2-ethenyl-4H-pyrimidine

3-deuterio-2-ethenyl-4H-pyrimidine (PubChem CID 87130852) has the molecular formula C6H8N2 and a molecular weight of 109.15 g/mol. Its IUPAC name is 3-deuterio-2-ethenyl-4H-pyrimidine.

Molecular Properties

Compound Name3-deuterio-2-ethenyl-4H-pyrimidine
PubChem CID87130852
Molecular FormulaC6H8N2
Molecular Weight109.15 g/mol
Exact Mass109.08
IUPAC Name3-deuterio-2-ethenyl-4H-pyrimidine
SMILES[2H]N1CC=CN=C1C=C
InChIInChI=1S/C6H8N2/c1-2-6-7-4-3-5-8-6/h2-4H,1,5H2,(H,7,8)/i/hD
InChIKeyRDXXCRXUIAEBPN-DYCDLGHISA-N
XLogP0.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.15
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-deuterio-2-ethenyl-4H-pyrimidine?
The IUPAC name of 3-deuterio-2-ethenyl-4H-pyrimidine (CID 87130852) is 3-deuterio-2-ethenyl-4H-pyrimidine.
What is the SMILES notation for 3-deuterio-2-ethenyl-4H-pyrimidine?
The canonical SMILES for 3-deuterio-2-ethenyl-4H-pyrimidine is [2H]N1CC=CN=C1C=C.
What is the InChIKey of 3-deuterio-2-ethenyl-4H-pyrimidine?
The InChIKey is RDXXCRXUIAEBPN-DYCDLGHISA-N. The full InChI is InChI=1S/C6H8N2/c1-2-6-7-4-3-5-8-6/h2-4H,1,5H2,(H,7,8)/i/hD.
What are the key properties of 3-deuterio-2-ethenyl-4H-pyrimidine?
3-deuterio-2-ethenyl-4H-pyrimidine has a molecular weight of 109.15 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-2-ethenyl-4H-pyrimidine is sourced from PubChem (CID 87130852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).