5-ethyl-2-[(E)-prop-1-enyl]pyrimidine

C9H12N2 — CID 145069367

IUPAC5-ethyl-2-[(E)-prop-1-enyl]pyrimidine
SMILESC/C=C/c1ncc(CC)cn1
InChIInChI=1S/C9H12N2/c1-3-5-9-10-6-8(4-2)7-11-9/h3,5-7H,4H2,1-2H3/b5-3+
InChIKeyMQHOUIKFMQNWBU-HWKANZROSA-N
MW148.21 g/mol
LogP2.07
Rot. Bonds2

About 5-ethyl-2-[(E)-prop-1-enyl]pyrimidine

5-ethyl-2-[(E)-prop-1-enyl]pyrimidine (PubChem CID 145069367) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-ethyl-2-[(E)-prop-1-enyl]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-[(E)-prop-1-enyl]pyrimidine
PubChem CID145069367
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name5-ethyl-2-[(E)-prop-1-enyl]pyrimidine
SMILESC/C=C/c1ncc(CC)cn1
InChIInChI=1S/C9H12N2/c1-3-5-9-10-6-8(4-2)7-11-9/h3,5-7H,4H2,1-2H3/b5-3+
InChIKeyMQHOUIKFMQNWBU-HWKANZROSA-N
XLogP2.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(E)-prop-1-enyl]pyrimidine?
The IUPAC name of 5-ethyl-2-[(E)-prop-1-enyl]pyrimidine (CID 145069367) is 5-ethyl-2-[(E)-prop-1-enyl]pyrimidine.
What is the SMILES notation for 5-ethyl-2-[(E)-prop-1-enyl]pyrimidine?
The canonical SMILES for 5-ethyl-2-[(E)-prop-1-enyl]pyrimidine is C/C=C/c1ncc(CC)cn1.
What is the InChIKey of 5-ethyl-2-[(E)-prop-1-enyl]pyrimidine?
The InChIKey is MQHOUIKFMQNWBU-HWKANZROSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-5-9-10-6-8(4-2)7-11-9/h3,5-7H,4H2,1-2H3/b5-3+.
What are the key properties of 5-ethyl-2-[(E)-prop-1-enyl]pyrimidine?
5-ethyl-2-[(E)-prop-1-enyl]pyrimidine has a molecular weight of 148.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(E)-prop-1-enyl]pyrimidine is sourced from PubChem (CID 145069367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).