2-[4-(4-fluoro-3,5-dimethylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-3-prop-2-enyl-4,8-dihydro-3H-pyrido[1,2-a]pyrimidine

C23H29FN2 — CID 143345320

IUPAC2-[4-(4-fluoro-3,5-dimethylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-3-prop-2-enyl-4,8-dihydro-3H-pyrido[1,2-a]pyrimidine
SMILESC=CCC1CN2C=CCC=C2N=C1C(=C)CCC1=CC(C)=C(F)C(C)C1
InChIInChI=1S/C23H29FN2/c1-5-8-20-15-26-12-7-6-9-21(26)25-23(20)16(2)10-11-19-13-17(3)22(24)18(4)14-19/h5,7,9,12-13,18,20H,1-2,6,8,10-11,14-15H2,3-4H3
InChIKeyYZVSPEFMBZZJKH-UHFFFAOYSA-N
MW352.50 g/mol
LogP6.24
Rot. Bonds6

About 2-[4-(4-fluoro-3,5-dimethylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-3-prop-2-enyl-4,8-dihydro-3H-pyrido[1,2-a]pyrimidine

2-[4-(4-fluoro-3,5-dimethylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-3-prop-2-enyl-4,8-dihydro-3H-pyrido[1,2-a]pyrimidine (PubChem CID 143345320) has the molecular formula C23H29FN2 and a molecular weight of 352.50 g/mol. Its IUPAC name is 2-[4-(4-fluoro-3,5-dimethylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-3-prop-2-enyl-4,8-dihydro-3H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[4-(4-fluoro-3,5-dimethylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-3-prop-2-enyl-4,8-dihydro-3H-pyrido[1,2-a]pyrimidine
PubChem CID143345320
Molecular FormulaC23H29FN2
Molecular Weight352.50 g/mol
Exact Mass352.23
IUPAC Name2-[4-(4-fluoro-3,5-dimethylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-3-prop-2-enyl-4,8-dihydro-3H-pyrido[1,2-a]pyrimidine
SMILESC=CCC1CN2C=CCC=C2N=C1C(=C)CCC1=CC(C)=C(F)C(C)C1
InChIInChI=1S/C23H29FN2/c1-5-8-20-15-26-12-7-6-9-21(26)25-23(20)16(2)10-11-19-13-17(3)22(24)18(4)14-19/h5,7,9,12-13,18,20H,1-2,6,8,10-11,14-15H2,3-4H3
InChIKeyYZVSPEFMBZZJKH-UHFFFAOYSA-N
XLogP6.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-(4-fluoro-3,5-dimethylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-3-prop-2-enyl-4,8-dihydro-3H-pyrido[1,2-a]pyrimidine with MolForge

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Related Compounds

2-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethyl-3,4,4a,5-tetrahydroquinolin-6-amine
CID 69620461
(12Z)-3-but-1-enyl-12-ethylidene-7-fluoro-2,9,9-trimethyl-10-propan-2-yl-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),6,8(16),10,13-pentaene
CID 164913551
(2E)-2-but-2-enylidene-6-[4-(4-fluoro-3-methylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-3-methyl-4-prop-1-en-2-yl-4,5-dihydropyrimidine
CID 143343983
3-bromo-2-octan-4-yl-2H-quinazoline
CID 22265324
N-ethyl-1,11,11a,11b-tetrahydrobenzo[a]quinolizin-2-imine
CID 57095023
6,6-Diethyl-7,9-dimethylidene-8-prop-2-enylidene-1,2-dihydroquinolizin-5-ium
CID 90882917
3-methyl-3,8,8a,9-tetrahydro-2H-isoindolo[1,2-a]isoquinolin-7-ium
CID 90887786
ethane;2-[4-(4-fluoro-3,5-dimethylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-3-prop-2-enyl-4,8-dihydro-3H-pyrido[1,2-a]pyrimidine
CID 143345319
1-cyclohexa-2,4-dien-1-yl-N-[cyclohex-2-en-1-yl-[1-(4-ethylcyclohexen-1-yl)ethylideneamino]methyl]-N-methylethenamine
CID 173938664

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-3,5-dimethylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-3-prop-2-enyl-4,8-dihydro-3H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 2-[4-(4-fluoro-3,5-dimethylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-3-prop-2-enyl-4,8-dihydro-3H-pyrido[1,2-a]pyrimidine (CID 143345320) is 2-[4-(4-fluoro-3,5-dimethylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-3-prop-2-enyl-4,8-dihydro-3H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 2-[4-(4-fluoro-3,5-dimethylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-3-prop-2-enyl-4,8-dihydro-3H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 2-[4-(4-fluoro-3,5-dimethylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-3-prop-2-enyl-4,8-dihydro-3H-pyrido[1,2-a]pyrimidine is C=CCC1CN2C=CCC=C2N=C1C(=C)CCC1=CC(C)=C(F)C(C)C1.
What is the InChIKey of 2-[4-(4-fluoro-3,5-dimethylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-3-prop-2-enyl-4,8-dihydro-3H-pyrido[1,2-a]pyrimidine?
The InChIKey is YZVSPEFMBZZJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2/c1-5-8-20-15-26-12-7-6-9-21(26)25-23(20)16(2)10-11-19-13-17(3)22(24)18(4)14-19/h5,7,9,12-13,18,20H,1-2,6,8,10-11,14-15H2,3-4H3.
What are the key properties of 2-[4-(4-fluoro-3,5-dimethylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-3-prop-2-enyl-4,8-dihydro-3H-pyrido[1,2-a]pyrimidine?
2-[4-(4-fluoro-3,5-dimethylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-3-prop-2-enyl-4,8-dihydro-3H-pyrido[1,2-a]pyrimidine has a molecular weight of 352.50 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-3,5-dimethylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-3-prop-2-enyl-4,8-dihydro-3H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 143345320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).