(2E)-1-ethyl-6-methyl-2-[(Z)-pent-3-enylidene]pyrimidine

C12H18N2 — CID 89263549

IUPAC(2E)-1-ethyl-6-methyl-2-[(Z)-pent-3-enylidene]pyrimidine
SMILESC/C=C\C/C=C1/N=CC=C(C)N1CC
InChIInChI=1S/C12H18N2/c1-4-6-7-8-12-13-10-9-11(3)14(12)5-2/h4,6,8-10H,5,7H2,1-3H3/b6-4-,12-8-
InChIKeyDBPBIHLAXHLKOU-HHZHQPEGSA-N
MW190.29 g/mol
LogP3.10
Rot. Bonds3

About (2E)-1-ethyl-6-methyl-2-[(Z)-pent-3-enylidene]pyrimidine

(2E)-1-ethyl-6-methyl-2-[(Z)-pent-3-enylidene]pyrimidine (PubChem CID 89263549) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (2E)-1-ethyl-6-methyl-2-[(Z)-pent-3-enylidene]pyrimidine.

Molecular Properties

Compound Name(2E)-1-ethyl-6-methyl-2-[(Z)-pent-3-enylidene]pyrimidine
PubChem CID89263549
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(2E)-1-ethyl-6-methyl-2-[(Z)-pent-3-enylidene]pyrimidine
SMILESC/C=C\C/C=C1/N=CC=C(C)N1CC
InChIInChI=1S/C12H18N2/c1-4-6-7-8-12-13-10-9-11(3)14(12)5-2/h4,6,8-10H,5,7H2,1-3H3/b6-4-,12-8-
InChIKeyDBPBIHLAXHLKOU-HHZHQPEGSA-N
XLogP3.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-ethyl-6-methyl-2-[(Z)-pent-3-enylidene]pyrimidine?
The IUPAC name of (2E)-1-ethyl-6-methyl-2-[(Z)-pent-3-enylidene]pyrimidine (CID 89263549) is (2E)-1-ethyl-6-methyl-2-[(Z)-pent-3-enylidene]pyrimidine.
What is the SMILES notation for (2E)-1-ethyl-6-methyl-2-[(Z)-pent-3-enylidene]pyrimidine?
The canonical SMILES for (2E)-1-ethyl-6-methyl-2-[(Z)-pent-3-enylidene]pyrimidine is C/C=C\C/C=C1/N=CC=C(C)N1CC.
What is the InChIKey of (2E)-1-ethyl-6-methyl-2-[(Z)-pent-3-enylidene]pyrimidine?
The InChIKey is DBPBIHLAXHLKOU-HHZHQPEGSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-6-7-8-12-13-10-9-11(3)14(12)5-2/h4,6,8-10H,5,7H2,1-3H3/b6-4-,12-8-.
What are the key properties of (2E)-1-ethyl-6-methyl-2-[(Z)-pent-3-enylidene]pyrimidine?
(2E)-1-ethyl-6-methyl-2-[(Z)-pent-3-enylidene]pyrimidine has a molecular weight of 190.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-ethyl-6-methyl-2-[(Z)-pent-3-enylidene]pyrimidine is sourced from PubChem (CID 89263549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).