5-[(Z)-2-ethylpent-1-enyl]pyrimidine

C11H16N2 — CID 102095735

IUPAC5-[(Z)-2-ethylpent-1-enyl]pyrimidine
SMILESCCC/C(=C\c1cncnc1)CC
InChIInChI=1S/C11H16N2/c1-3-5-10(4-2)6-11-7-12-9-13-8-11/h6-9H,3-5H2,1-2H3/b10-6-
InChIKeyUMRRMAVGRQDLFT-POHAHGRESA-N
MW176.26 g/mol
LogP3.07
Rot. Bonds4

About 5-[(Z)-2-ethylpent-1-enyl]pyrimidine

5-[(Z)-2-ethylpent-1-enyl]pyrimidine (PubChem CID 102095735) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 5-[(Z)-2-ethylpent-1-enyl]pyrimidine.

Molecular Properties

Compound Name5-[(Z)-2-ethylpent-1-enyl]pyrimidine
PubChem CID102095735
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name5-[(Z)-2-ethylpent-1-enyl]pyrimidine
SMILESCCC/C(=C\c1cncnc1)CC
InChIInChI=1S/C11H16N2/c1-3-5-10(4-2)6-11-7-12-9-13-8-11/h6-9H,3-5H2,1-2H3/b10-6-
InChIKeyUMRRMAVGRQDLFT-POHAHGRESA-N
XLogP3.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-ethylpent-1-enyl]pyrimidine?
The IUPAC name of 5-[(Z)-2-ethylpent-1-enyl]pyrimidine (CID 102095735) is 5-[(Z)-2-ethylpent-1-enyl]pyrimidine.
What is the SMILES notation for 5-[(Z)-2-ethylpent-1-enyl]pyrimidine?
The canonical SMILES for 5-[(Z)-2-ethylpent-1-enyl]pyrimidine is CCC/C(=C\c1cncnc1)CC.
What is the InChIKey of 5-[(Z)-2-ethylpent-1-enyl]pyrimidine?
The InChIKey is UMRRMAVGRQDLFT-POHAHGRESA-N. The full InChI is InChI=1S/C11H16N2/c1-3-5-10(4-2)6-11-7-12-9-13-8-11/h6-9H,3-5H2,1-2H3/b10-6-.
What are the key properties of 5-[(Z)-2-ethylpent-1-enyl]pyrimidine?
5-[(Z)-2-ethylpent-1-enyl]pyrimidine has a molecular weight of 176.26 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-ethylpent-1-enyl]pyrimidine is sourced from PubChem (CID 102095735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).