(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine

C11H16N2 — CID 137445526

IUPAC(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine
SMILESC/C=C\N1C=NC=C/C1=C\CCC
InChIInChI=1S/C11H16N2/c1-3-5-6-11-7-8-12-10-13(11)9-4-2/h4,6-10H,3,5H2,1-2H3/b9-4-,11-6+
InChIKeyOWZKNIPDDPEYPX-AQPYURIMSA-N
MW176.26 g/mol
LogP3.06
Rot. Bonds3

About (6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine

(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine (PubChem CID 137445526) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine.

Molecular Properties

Compound Name(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine
PubChem CID137445526
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine
SMILESC/C=C\N1C=NC=C/C1=C\CCC
InChIInChI=1S/C11H16N2/c1-3-5-6-11-7-8-12-10-13(11)9-4-2/h4,6-10H,3,5H2,1-2H3/b9-4-,11-6+
InChIKeyOWZKNIPDDPEYPX-AQPYURIMSA-N
XLogP3.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine?
The IUPAC name of (6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine (CID 137445526) is (6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine.
What is the SMILES notation for (6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine?
The canonical SMILES for (6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine is C/C=C\N1C=NC=C/C1=C\CCC.
What is the InChIKey of (6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine?
The InChIKey is OWZKNIPDDPEYPX-AQPYURIMSA-N. The full InChI is InChI=1S/C11H16N2/c1-3-5-6-11-7-8-12-10-13(11)9-4-2/h4,6-10H,3,5H2,1-2H3/b9-4-,11-6+.
What are the key properties of (6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine?
(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine has a molecular weight of 176.26 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine is sourced from PubChem (CID 137445526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).