(5E,6E)-5-[(Z)-but-2-enylidene]-4-propan-2-yl-6-propylidenepyrimidine

C14H20N2 — CID 177205902

IUPAC(5E,6E)-5-[(Z)-but-2-enylidene]-4-propan-2-yl-6-propylidenepyrimidine
SMILESC/C=C\C=c1\c(C(C)C)ncn\c1=C\CC
InChIInChI=1S/C14H20N2/c1-5-7-9-12-13(8-6-2)15-10-16-14(12)11(3)4/h5,7-11H,6H2,1-4H3/b7-5-,12-9+,13-8+
InChIKeyOIMJJXCALUANDW-BSFRVBGISA-N
MW216.33 g/mol
LogP2.15
Rot. Bonds3

About (5E,6E)-5-[(Z)-but-2-enylidene]-4-propan-2-yl-6-propylidenepyrimidine

(5E,6E)-5-[(Z)-but-2-enylidene]-4-propan-2-yl-6-propylidenepyrimidine (PubChem CID 177205902) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (5E,6E)-5-[(Z)-but-2-enylidene]-4-propan-2-yl-6-propylidenepyrimidine.

Molecular Properties

Compound Name(5E,6E)-5-[(Z)-but-2-enylidene]-4-propan-2-yl-6-propylidenepyrimidine
PubChem CID177205902
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(5E,6E)-5-[(Z)-but-2-enylidene]-4-propan-2-yl-6-propylidenepyrimidine
SMILESC/C=C\C=c1\c(C(C)C)ncn\c1=C\CC
InChIInChI=1S/C14H20N2/c1-5-7-9-12-13(8-6-2)15-10-16-14(12)11(3)4/h5,7-11H,6H2,1-4H3/b7-5-,12-9+,13-8+
InChIKeyOIMJJXCALUANDW-BSFRVBGISA-N
XLogP2.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9bH-perimidine
CID 9548744
(4Z,5E)-4-(1-fluoroethylidene)-6-propan-2-yl-5-propylidenepyrimidine
CID 153553378
8-Fluoro-4-propan-2-yl-6,7-dihydroquinazoline
CID 153553446
(5E)-4-methyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidine
CID 89038797
(E)-[(5Z)-6-propan-2-yl-5-prop-2-enylidenepyrimidin-4-ylidene]hydrazine
CID 89263320
(4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine
CID 90136221
N-[(6E,8Z)-2,4,6-trimethyl-8-propylidene-4,5-dihydroazonin-9-yl]methanimine
CID 123758833
4,6-Dimethyl-4a,5-dihydroquinazoline
CID 129058049
4-methylidene-6-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-5H-pyrimidine
CID 132046291
(5Z)-5-but-3-en-2-ylidene-4-methyl-6-methylidenepyrimidine
CID 139435840
(5E)-5-ethylidene-4-methyl-6-methylidenepyrimidine
CID 141823426
(3Z)-3-ethylidene-N-[(Z)-6-ethylnon-2-en-3-yl]pyridin-2-imine
CID 142388191

Frequently Asked Questions

What is the IUPAC name of (5E,6E)-5-[(Z)-but-2-enylidene]-4-propan-2-yl-6-propylidenepyrimidine?
The IUPAC name of (5E,6E)-5-[(Z)-but-2-enylidene]-4-propan-2-yl-6-propylidenepyrimidine (CID 177205902) is (5E,6E)-5-[(Z)-but-2-enylidene]-4-propan-2-yl-6-propylidenepyrimidine.
What is the SMILES notation for (5E,6E)-5-[(Z)-but-2-enylidene]-4-propan-2-yl-6-propylidenepyrimidine?
The canonical SMILES for (5E,6E)-5-[(Z)-but-2-enylidene]-4-propan-2-yl-6-propylidenepyrimidine is C/C=C\C=c1\c(C(C)C)ncn\c1=C\CC.
What is the InChIKey of (5E,6E)-5-[(Z)-but-2-enylidene]-4-propan-2-yl-6-propylidenepyrimidine?
The InChIKey is OIMJJXCALUANDW-BSFRVBGISA-N. The full InChI is InChI=1S/C14H20N2/c1-5-7-9-12-13(8-6-2)15-10-16-14(12)11(3)4/h5,7-11H,6H2,1-4H3/b7-5-,12-9+,13-8+.
What are the key properties of (5E,6E)-5-[(Z)-but-2-enylidene]-4-propan-2-yl-6-propylidenepyrimidine?
(5E,6E)-5-[(Z)-but-2-enylidene]-4-propan-2-yl-6-propylidenepyrimidine has a molecular weight of 216.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-5-[(Z)-but-2-enylidene]-4-propan-2-yl-6-propylidenepyrimidine is sourced from PubChem (CID 177205902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).